SCHEMBL2850503

SCHEMBL2850503

CCCc1c(OC(=O)NCc2cccs2)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 8/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 3/20 0.44
MAPT P10636 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2854824 0.91 POLB (0.44) HPGDKDM4EPOLBLMNASMN1; SMN2
SCHEMBL2848617 0.83 NPC1 (0.47) HPGDKDM4EPOLBLMNASMN1; SMN2
SCHEMBL2858207 0.82 HSD17B10 (0.52) HPGDKDM4EPOLBLMNASMN1; SMN2
SCHEMBL2855394 0.81 ALDH1A1 (0.54) POLBLMNARAB9AALDH1A1MAPK1
SCHEMBL2856416 0.79 ALDH1A1 (0.52) POLBLMNARAB9AALDH1A1MAPK1
SCHEMBL2863421 0.79 EPHX1 (0.46) HPGDPOLBLMNARAB9AALDH1A1
SCHEMBL2852393 0.79 ALDH1A1 (0.43) HPGDPOLBLMNARAB9AALDH1A1
SCHEMBL2856997 0.79 ALDH1A1 (0.57) POLBLMNARAB9AALDH1A1MAPK1
SCHEMBL5325459 0.78 ALDH1A1 (0.53) POLBLMNARAB9AALDH1A1MAPK1
SCHEMBL2855497 0.78 MAPT (0.52) POLBLMNARAB9AALDH1A1MAPK1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed