SCHEMBL9868384

SCHEMBL9868384

C/N=C1\C=Cc2ccc(NC)c3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
IDO1 P14902 1/20 0.38
PABPC1 P11940 2/20 0.32
EGFR P00533 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9868390 1.00 MEN1 (0.43) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL8716478 0.78 KEAP1 (0.46) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL7742193 0.71 ALDH1A1 (0.30) MAPT
SCHEMBL7742195 0.71 ALDH1A1 (0.30) MAPT
SCHEMBL18760293 0.71 ALDH1A1 (0.30) MAPT
SCHEMBL16200909 0.68 MEN1 (0.64) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL24089064 0.64 KEAP1 (0.46) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL29205327 0.63 PABPC1 (0.32) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL2317725 0.62 ALDH1A1 (0.59) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL31683709 0.62 ALDH1A1 (0.59) MEN1USP2KMT2AKEAP1NFE2L2

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-5055414-A PHENALENIMINE FLUORESCENT DYES AND THEIR USE IN ANALYTICAL METHODS EASTMAN KODAK COMPANY (US) 1991-10-08 US disclosed