SCHEMBL10855290

SCHEMBL10855290

O=C(O)/C=C/C(=O)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ NME2 P22392 1/20 0.55
▸ ALOX5 P09917 2/20 0.52
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL10854019 1.00 MEN1 (0.55) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10854010 1.00 MEN1 (0.55) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10855285 1.00 MEN1 (0.55) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10854000 1.00 MEN1 (0.55) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10855446 0.93 KMT2A (0.56) MEN1KMT2ANME2RAB9AKDM4E
SCHEMBL10855439 0.93 KMT2A (0.56) MEN1KMT2ANME2RAB9AKDM4E
SCHEMBL10858588 0.93 KMT2A (0.56) MEN1KMT2ANME2RAB9AKDM4E
SCHEMBL10855426 0.93 KMT2A (0.56) MEN1KMT2ANME2RAB9AKDM4E
SCHEMBL10858596 0.93 KMT2A (0.56) MEN1KMT2ANME2RAB9AKDM4E
SCHEMBL10852904 0.92 MEN1 (0.54) MEN1KMT2ANME2ALOX5RAB9A

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
US-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 — — US disclosed
Send feedback