SCHEMBL10890556

SCHEMBL10890556

NC1=NN(c2nc3c(s2)CCCC3)C(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ JAK2 O60674 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ RET P07949 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL10891545 0.82 ALDH1A1 (0.36) MAPTPOLBMAPK1LMNAGAA
SCHEMBL10887197 0.81 MEN1 (0.37) MAPTPOLBMAPK1LMNATSHR
SCHEMBL10892079 0.80 SLC27A1 (0.35) MAPTPOLBMAPK1LMNAGAA
SCHEMBL10891764 0.78 MEN1 (0.45) MAPTPOLBLMNATSHRHSD17B10
Evandamine SCHEMBL6009808 0.77 APOBEC3A (0.42) MAPTPOLBLMNATSHRHTT
SCHEMBL10894037 0.77 MAPT (0.35) MAPTMAPK1LMNATSHRHTT
SCHEMBL10849346 0.76 ALDH1A1 (0.42) MAPTPOLBMAPK1LMNAGAA
Hydrochloric Acid SCHEMBL11214622 0.75 ALDH1A1 (0.41) MAPTPOLBMAPK1LMNAGAA
SCHEMBL10890976 0.74 ALDH1A1 (0.43) MAPTPOLBMAPK1LMNATSHR
SCHEMBL11068412 0.72 MEN1 (0.54) MAPTPOLBMAPK1LMNAGAA

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 2 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 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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