SCHEMBL734944

SCHEMBL734944

Nc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
POLB P06746 1/20 0.64
CASP3 P42574 1/20 0.64
ATM Q13315 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
CYP1A2 P05177 2/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 6/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
AR P10275 1/20 0.54
CBR1 P16152 1/20 0.54
AKR1C3 P42330 1/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
IDO1 P14902 1/20 0.51
RORC P51449 1/20 0.50

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
SCHEMBL734813 0.84 CYP1A2 (0.59) NPC1POLBCASP3ATMSENP8
SCHEMBL5054132 0.83 NPC1 (0.66) NPC1POLBCASP3ATMSENP8
SCHEMBL733479 0.82 ALDH1A1 (0.69) NPC1POLBCASP3ATMSENP8
SCHEMBL30726102 0.81 CYP1A2 (0.74) NPC1POLBCASP3ATMSENP8
SCHEMBL28015342 0.81 CYP1A2 (0.74) NPC1POLBCASP3ATMSENP8
SCHEMBL732543 0.81 CYP1A2 (0.59) NPC1POLBCASP3ATMSENP8
SCHEMBL733344 0.80 POLB (0.66) NPC1POLBCASP3ATMSENP8
SCHEMBL733872 0.79 CYP2C19 (0.58) NPC1POLBCASP3ATMSENP8
SCHEMBL734843 0.79 FADS1 (0.61) NPC1POLBCASP3ATMSENP8
SCHEMBL733243 0.79 CYP1A2 (0.58) NPC1POLBCASP3ATMSENP8

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
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
EP-1278748-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2011-03-23 EP disclosed