SCHEMBL7982017

SCHEMBL7982017

CCCC1Sc2ccccc2NC1=S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 2/20 0.59
PKM P14618 2/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
ALOX12 P18054 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
TP53 P04637 1/20 0.38
HTR5A P47898 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL7988358 0.91 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL7984967 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL5671154 0.81 HSD17B10 (0.61) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3250724 0.72 HSD17B10 (0.58) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL7985003 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL5671626 0.70 HSD17B10 (0.65) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL10738044 0.69 IDO1 (0.48) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL8853387 0.68 BRD4 (0.61) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL9628743 0.66 BRD4 (0.51) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL10730206 0.66 HSD17B10 (0.63) ALDH1A1MEN1KMT2AMAPTPKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed