SCHEMBL10028812

SCHEMBL10028812

Brc1cc2c3ccccc3c3cc(Br)sc3c2s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
EGFR P00533 5/20 0.36
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPRT1 P00492 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN1 P18031 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
TRPM4 Q8TD43 1/20 0.30

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
SCHEMBL14603456 0.93 EGFR (0.35) GPR3EGFRMAPTMEN1KMT2A
SCHEMBL30507470 0.93 EGFR (0.35) GPR3EGFRMAPTMEN1KMT2A
SCHEMBL17108130 0.75 NPC1 (0.34) EGFRMAPTCYP1A2CYP2C19MEN1
SCHEMBL14603351 0.75 MAPT (0.44) MAPTCYP1A2MEN1KMT2ARXFP1
SCHEMBL2233362 0.75 GSK3B (0.30)
SCHEMBL15434926 0.74 GPR3 (0.43) GPR3EGFRMAPTMEN1KMT2A
SCHEMBL793645 0.74 NQO2 (0.43) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL17340900 0.73 GPR3 (0.52) GPR3MAPTCYP1A2MEN1KMT2A
SCHEMBL12288869 0.73 RAB9A (0.45) MAPTCYP1A2HPRT1ALDH1A1RAB9A
SCHEMBL10054054 0.73 EGFR (0.36) EGFRMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438104-B1 FUSED BITHIOPHENE-VINYLENE POLYMERS BASF SE (DE) 2014-04-30 EP disclosed
US-8466460-B2 Fused bithiophene-vinylene polymers BASF SE (DE) 2013-06-18 US disclosed
US-8466460-B2 Fused bithiophene-vinylene polymers BASF SE (DE) 2013-06-18 US disclosed
US-20120074410-A1 FUSED BITHIOPHENE-VINYLENE POLYMERS POLYERA CORPORATION (US) 2012-03-29 US disclosed
US-20120074410-A1 FUSED BITHIOPHENE-VINYLENE POLYMERS POLYERA CORPORATION (US) 2012-03-29 US disclosed
WO-2010149451-A1 FUSED BITHIOPHENE-VINYLENE POLYMERS BASF SE (DE) 2010-12-29 WO disclosed