SCHEMBL4737726

SCHEMBL4737726

CCCCOC(=O)N(CC)c1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MCL1 Q07820 3/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.49
PTPN1 P18031 1/20 0.47
LMNA P02545 2/20 0.46
FAAH O00519 1/20 0.46
STAT3 P40763 1/20 0.46
RECQL P46063 1/20 0.46
MITF O75030 1/20 0.46
CASP1 P29466 1/20 0.45

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
SCHEMBL4739554 0.81 RAB9A (0.56) RAB9AMAPTALDH1A1KDM4EMCL1
SCHEMBL3069128 0.77 RAB9A (0.71) RAB9AMAPTALDH1A1KDM4EMCL1
SCHEMBL15996870 0.76 NPC1 (0.58) RAB9AMAPTALDH1A1KDM4EMCL1
SCHEMBL5737663 0.75 TSHR (0.55) RAB9AMAPTALDH1A1KDM4EMCL1
SCHEMBL10943491 0.75 HPGD (0.78) RAB9AMAPTALDH1A1KDM4ETSHR
SCHEMBL4737730 0.74 KMT2A (0.60) RAB9AMAPTALDH1A1KDM4ETSHR
SCHEMBL6082056 0.73 TSHR (0.56) RAB9AMAPTALDH1A1KDM4EMCL1
SCHEMBL21382113 0.73 ALDH1A1 (0.47) RAB9AMAPTALDH1A1KDM4EMCL1
SCHEMBL1690744 0.73 FAAH (0.69) RAB9AMAPTALDH1A1KDM4EMCL1
SCHEMBL9711966 0.73 MAPT (0.62) RAB9AMAPTALDH1A1KDM4EMCL1

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