SCHEMBL14458151

SCHEMBL14458151

Cn1nc(-c2ccccc2)cc1-c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
ADORA2A P29274 3/20 0.46
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
SMARCA2 P51531 1/20 0.43
PBRM1 Q86U86 1/20 0.43
P2RY6 Q15077 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL5598054 0.87 ESRRA (0.52) ABCB1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL5597897 0.84 PTGS1 (0.50) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL17943407 0.81 MAPT (0.53) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL822565 0.79 ALDH1A1 (0.53) ALDH1A1MAPTKMT2APOLB
SCHEMBL434503 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL17279861 0.76 KMT2A (0.47) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL2592505 0.75 TAAR1 (0.51) ALDH1A1KDM4EMAPTHSD17B10ADORA2A
SCHEMBL25722869 0.74 KDM4E (0.44) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL14956003 0.74 TDP1 (0.60) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL17938588 0.74 KDM4E (0.58) ALDH1A1KDM4EMAPTHSD17B10HPGD

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-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed