SCHEMBL11054890

SCHEMBL11054890

O=C(O)c1c(C2=NCCN2)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 14/20 0.60
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2077293 0.77 NISCH (0.50) NISCHALDH1A1LMNAKMT2AMAPT
SCHEMBL16863098 0.77 NISCH (0.76) NISCH
SCHEMBL1661024 0.77 HSD17B10 (0.63) KDM4EALDH1A1CYP1A2LMNAMEN1
SCHEMBL9575177 0.76 NISCH (1.00) NISCHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8953423 0.73 KDM4E (0.49) NISCHKDM4EALDH1A1MEN1KMT2A
SCHEMBL1526540 0.73 NISCH (0.60) NISCH
SCHEMBL8186147 0.73 NISCH (0.87) NISCHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1195261 0.72 MEN1 (0.57) KDM4EALDH1A1CYP1A2LMNAMEN1
SCHEMBL10783918 0.72 MEN1 (0.57) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL9246331 0.71 NISCH (0.54) NISCHKDM4EALDH1A1CYP1A2CYP3A4

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-4554013-A Herbicidal imidazolinyl naphthoic acids AMERICAN CYANAMID COMPANY (US) 1985-11-19 — — US disclosed
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