SCHEMBL30120643

SCHEMBL30120643

NC(=O)c1cccc([N+](=O)[O-])c1NCCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
CTSD P07339 1/20 0.48
CDK2 P24941 1/20 0.46
ALDH1A1 P00352 2/20 0.43
GPR35 Q9HC97 1/20 0.42
KCNMA1 Q12791 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3035419 0.87 CDK2 (0.59) RAB9ACTSDCDK2ALDH1A1GPR35
SCHEMBL3669432 0.85 RAB9A (0.57) RAB9AALDH1A1GPR35TSHRKMT2A
Hydrochloric Acid SCHEMBL31216389 0.84 KAT2B (0.52) RAB9ACTSDCDK2ALDH1A1KMT2A
SCHEMBL2087478 0.83 KDM4E (0.54) RAB9ACTSDCDK2ALDH1A1KCNMA1
SCHEMBL9501876 0.81 RAB9A (0.51) RAB9ACTSDALDH1A1GPR35TSHR
SCHEMBL29162289 0.79 RAB9A (0.59) RAB9AALDH1A1GPR35TSHRKMT2A
SCHEMBL8748916 0.79 RAB9A (0.52) RAB9ACDK2ALDH1A1GPR35KCNMA1
SCHEMBL309307 0.78 RAB9A (0.51) RAB9AALDH1A1GPR35TSHRKMT2A
SCHEMBL308233 0.78 MAPT (0.60) RAB9AALDH1A1GPR35TSHRKMT2A
SCHEMBL29566643 0.78 MAPT (0.60) RAB9AALDH1A1GPR35TSHRKMT2A

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
CN-109311879-B Symmetrical/asymmetrical azomethine-type direct dyes comprising at least one pyrazolopyridine unit, method for dyeing 莱雅公司 2023-01-06 CN disclosed