SCHEMBL10891545

SCHEMBL10891545

CNC1=NN(c2nc3c(s2)CCCC3)C(c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 7/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ LMNA P02545 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ POLB P06746 4/20 0.34
▸ ATM Q13315 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SLC27A1 Q6PCB7 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HTT P42858 3/20 0.33
▸ HSD17B10 Q99714 2/20 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
SCHEMBL10892079 0.88 SLC27A1 (0.35) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10887197 0.88 MEN1 (0.37) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10891764 0.86 MEN1 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10894037 0.84 MAPT (0.35) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10890556 0.82 MAPT (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10890976 0.82 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10894284 0.65 DRD3 (0.33) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL11185641 0.65 MAPT (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13387645 0.64 PDK1 (0.36) ALDH1A1MAPTNPC1RAB9ATDP1
Evandamine SCHEMBL6009808 0.64 APOBEC3A (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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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