SCHEMBL11524059

SCHEMBL11524059

Cc1cccc(C)c1C(=O)NC(=O)Nc1cnc(-c2ccc(Br)cc2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
RAB9A P51151 6/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
GBA1 P04062 1/20 0.39
NPC1 O15118 4/20 0.39
TP53 P04637 3/20 0.39
MAPK1 P28482 2/20 0.39
PTGFR P43088 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CNR1 P21554 3/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL3665409 0.89 MAPT (0.38) TRPV1RAB9AMEN1POLBKMT2A
SCHEMBL11522579 0.89 MEN1 (0.41) TRPV1RAB9AMEN1POLBKMT2A
SCHEMBL11375265 0.88 RAB9A (0.51) TRPV1RAB9AMEN1KMT2ANPC1
SCHEMBL11381909 0.83 ALDH1A1 (0.44) TRPV1RAB9AMEN1KMT2ANPC1
SCHEMBL7628324 0.82 PCTP (0.42) RAB9APOLBKMT2ANPC1TP53
SCHEMBL11522099 0.80 SORT1 (0.41) TRPV1RAB9AMEN1KMT2ANPC1
SCHEMBL11525837 0.80 CNR1 (0.42) TRPV1RAB9AMEN1POLBKMT2A
SCHEMBL11526310 0.79 DHODH (0.43) RAB9AMEN1POLBKMT2ANPC1
SCHEMBL11522591 0.79 MAPT (0.39) RAB9AKMT2APTGFRMAPT
SCHEMBL11523714 0.79 RAB9A (0.43) RAB9AMEN1POLBKMT2ANPC1

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-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US claimed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed