SCHEMBL4739554

SCHEMBL4739554

CCN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
POLB P06746 3/20 0.52
NPC1 O15118 2/20 0.51
ATM Q13315 1/20 0.51
BCHE P06276 1/20 0.49
PTPN1 P18031 1/20 0.49
MITF O75030 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
SNCA P37840 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NOS1 P29475 1/20 0.43

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
SCHEMBL4737726 0.81 RAB9A (0.54) RAB9APOLBNPC1ATMBCHE
SCHEMBL8781612 0.81 HPGD (0.53) POLBMEN1KMT2ATDP1ALDH1A1
SCHEMBL3069128 0.79 RAB9A (0.71) RAB9APOLBNPC1ATMBCHE
SCHEMBL27410610 0.78 HTT (0.40) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7080560 0.78 NAMPT (0.64) RAB9APOLBNPC1ATMPTPN1
SCHEMBL4838149 0.77 NOTUM (0.49) NPC1TDP1ALDH1A1MAPTKDM4E
SCHEMBL12719411 0.76 ALDH1A1 (0.42) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL6831588 0.74 PTPRB (0.46) PTPN1
SCHEMBL3894800 0.73 TSHR (0.42) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3349318 0.72 MLYCD (0.41) MEN1KMT2A

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
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 WO disclosed