SCHEMBL4766092

SCHEMBL4766092

Cc1ccccc1Oc1ccnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NCF1 P14598 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
BRAF P15056 1/20 0.40
SRC P12931 1/20 0.39
TGFBR1 P36897 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
RIPK2 O43353 1/20 0.39
USP2 O75604 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
SCHEMBL9431770 0.87 NCF1 (0.54) RAB9ANPC1SMN1; SMN2NCF1CYP1A2
SCHEMBL27665935 0.83 PDGFRB (0.49) MEN1KMT2ABRAFSRCTGFBR1
SCHEMBL7458619 0.82 APP (0.52) MEN1NPC1TSHRKMT2ASMN1; SMN2
SCHEMBL4472632 0.79 KDM4E (0.43) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL1591720 0.79 NCF1 (0.56) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL12386844 0.78 KDR (0.48) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL828159 0.77 GAK (0.55) SMN1; SMN2NCF1LOXL2BRAFRIPK2
SCHEMBL22972146 0.77 SRC (0.45) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL13836171 0.77 GAK (0.49) RAB9ANPC1TSHRSMN1; SMN2NCF1
SCHEMBL1897179 0.77 ERBB2 (0.55) KMT2ANCF1LOXL2BRAF

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-20120122212-A1 TGF-BETA PATHWAY INHIBITORS FOR ENHANCEMENT OF CELLULAR REPROGRAMMING OF HUMAN CELLS IPIERIAN, INC. 2012-05-17 US disclosed