SCHEMBL9051003

SCHEMBL9051003

Cc1cc(NC(=O)N2CCc3c2ccc2sccc32)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.43
RAB9A P51151 1/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.42
IGF1R P08069 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2B P41595 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPC1 O15118 2/20 0.41
GUSB P08236 1/20 0.41
OPRK1 P41145 1/20 0.40

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
SCHEMBL9049984 0.83 MAPT (0.49) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL9049771 0.82 CYP1A2 (0.54) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7474827 0.81 HTR2C (0.58) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL9050471 0.77 HTR2C (0.47) MEN1KMT2ASMN1; SMN2RAB9AUSP2
SCHEMBL7411485 0.75 HTR2B (0.53) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL8529863 0.75 HTR2C (0.56) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL8526774 0.74 HTR2B (0.72) HTTMEN1KMT2ARAB9AUSP2
SCHEMBL9050180 0.72 HTR2C (0.64) HTR2AHTR2C
SCHEMBL7420874 0.72 MAPT (0.59) HTTMEN1KMT2ASMN1; SMN2GALR3
SCHEMBL6589470 0.70 IGF1R (0.62) HTTMEN1KMT2ASMN1; SMN2GALR3

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
EP-0691973-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-01-17 EP disclosed
WO-1994022871-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-10-13 WO disclosed