SCHEMBL10893459

SCHEMBL10893459

NC1=NN(c2nc3c(s2)CCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ PDK1 Q15118 3/20 0.41
▸ FBP1 P09467 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ RET P07949 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ ADRA2A P08913 4/20 0.39
▸ ADRA2B P18089 4/20 0.39
▸ ADRA2C P18825 4/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.35
▸ RAB9A P51151 6/20 0.34
▸ MAPT P10636 3/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ NPC1 O15118 5/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10891371 0.98 APOBEC3A (0.47) APOBEC3AAPOBEC3GPDK1FBP1JAK2
SCHEMBL1891504 0.74 APOBEC3A (0.42) APOBEC3AAPOBEC3GPDK1FBP1JAK2
SCHEMBL16695138 0.73 SMN1; SMN2 (0.53) APOBEC3AAPOBEC3GPDK1FBP1JAK2
Hydrochloric Acid SCHEMBL10891755 0.72 NPC1 (0.36) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL10893914 0.71 ABL1 (0.44) RAB9AMAPTABL1NPC1SMN1; SMN2
Evandamine SCHEMBL6009808 0.71 APOBEC3A (0.42) APOBEC3AAPOBEC3GPDK1FBP1JAK2
Hydrochloric Acid SCHEMBL10889776 0.70 ABL1 (0.43) RAB9AMAPTABL1NPC1SMN1; SMN2
SCHEMBL10890235 0.68 TSHR (0.39) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL12865380 0.68 PIK3CD (0.59) APOBEC3AAPOBEC3GPDK1FBP1RAB9A
SCHEMBL558522 0.68 APOBEC3A (0.95) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4600722-A 3-amino-1-(4,5,6,7-tetrahydro-benzothiazolyl)-2-pyrazolines and a process for the treatment of inflammatory or allergic processes in humans A. NATTERMANN & CIE GMBH (DE) 1986-07-15 — — US claimed
EP-0155523-A1 3-Amino-1-(4,5,6,7-Tetrahydro-benzothiazolyl)-2-Pyrazolines,a process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-25 — — EP claimed
JP-60226878-A — — None — — JP disclosed
US-4600722-A 3-amino-1-(4,5,6,7-tetrahydro-benzothiazolyl)-2-pyrazolines and a process for the treatment of inflammatory or allergic processes in humans A. NATTERMANN & CIE GMBH (DE) 1986-07-15 — — US disclosed
US-4600722-A 3-amino-1-(4,5,6,7-tetrahydro-benzothiazolyl)-2-pyrazolines and a process for the treatment of inflammatory or allergic processes in humans A. NATTERMANN & CIE GMBH (DE) 1986-07-15 — — US disclosed
US-4600722-A 3-amino-1-(4,5,6,7-tetrahydro-benzothiazolyl)-2-pyrazolines and a process for the treatment of inflammatory or allergic processes in humans A. NATTERMANN & CIE GMBH (DE) 1986-07-15 — — US disclosed
JP-S60226878-A 3-AMINO-1-(4,5,6,7-TETRAHYDROBENZOTHIAZOLYL)-2-PYRAZOLINES AND MANUFACTURE NATTERMANN A & CIE 1985-11-12 — — JP disclosed
EP-0155523-A1 3-Amino-1-(4,5,6,7-Tetrahydro-benzothiazolyl)-2-Pyrazolines,a process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-25 — — EP disclosed
EP-0155523-A1 3-Amino-1-(4,5,6,7-Tetrahydro-benzothiazolyl)-2-Pyrazolines,a process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-25 — — EP disclosed
EP-0155523-A1 3-Amino-1-(4,5,6,7-Tetrahydro-benzothiazolyl)-2-Pyrazolines,a process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-25 — — EP disclosed
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