SCHEMBL11522663

SCHEMBL11522663

Cc1ncc(NC(=O)NC(=O)c2c(Br)cccc2Br)nc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.42
NPC1 O15118 7/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
SORT1 Q99523 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.37
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL11520972 0.84 RAB9A (0.45) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL11522099 0.80 SORT1 (0.41) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL11523266 0.77 RAB9A (0.45) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL11523524 0.76 NPC1 (0.37) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL11524059 0.75 TRPV1 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL11523410 0.74 CHEK1 (0.54)
SCHEMBL11521655 0.73 RAB9A (0.39) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL11521485 0.73 MAPT (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3665409 0.73 MAPT (0.38) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL11522579 0.73 MEN1 (0.41) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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 disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed