SCHEMBL7979804

SCHEMBL7979804

N#Cc1ccc(Cc2nc(Cl)c3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.49
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
PRNP P04156 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL7984282 0.81 MAPK1 (0.53) L3MBTL1MAPTLMNACYP1A2CYP3A4
SCHEMBL4084676 0.77 L3MBTL1 (0.56) L3MBTL1MAPTLMNACYP1A2CYP3A4
SCHEMBL16404343 0.72 MAOA (0.50) L3MBTL1MAPTLMNACYP1A2CYP3A4
SCHEMBL92745 0.71 KMT2A (0.50) L3MBTL1MAPTLMNACYP1A2CYP3A4
SCHEMBL28224409 0.70 L3MBTL1 (0.49) L3MBTL1MAPTLMNACYP1A2CYP3A4
SCHEMBL854445 0.70 TSHR (0.59) L3MBTL1MAPTMEN1KMT2AHRH3
SCHEMBL2261435 0.70 MAOA (0.52) L3MBTL1MAPTLMNACYP1A2CYP3A4
SCHEMBL1367959 0.70 KDM4E (0.52) MAPTLMNAKMT2ATDP1NPSR1
SCHEMBL859288 0.70 ALDH1A1 (0.54) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL7978349 0.69 KMT2A (0.74) MAPTLMNAMEN1KMT2AALDH1A1

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed