SCHEMBL4740034

SCHEMBL4740034

NCCc1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.63
MITF O75030 1/20 0.61
SNCA P37840 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
POLB P06746 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
ATM Q13315 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
PKM P14618 1/20 0.54
APEX1 P27695 1/20 0.54
ALDH1A1 P00352 2/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL24891741 0.92 MEN1 (0.63) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL4170179 0.87 PTPN1 (0.67) PTPN1MITFSNCARAB9ANPC1
SCHEMBL15651884 0.87 POLB (0.73) SNCARAB9ANPC1MEN1KMT2A
SCHEMBL8867655 0.86 PTPN1 (0.65) PTPN1MITFSNCARAB9ANPC1
SCHEMBL8867653 0.86 MITF (0.68) PTPN1MITFSNCARAB9ANPC1
SCHEMBL24670336 0.86 TRPV1 (0.57) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL24667832 0.84 TRPV1 (0.56) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL12310177 0.84 RAB9A (0.73) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL8185226 0.84 MEN1 (0.62) PTPN1RAB9ANPC1MEN1KMT2A
SCHEMBL9236055 0.83 NR1H4 (0.70) MEN1KMT2ALMNAPOLBTDP1

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