SCHEMBL10692298

SCHEMBL10692298

CC(N)Cc1ccc([N+](=O)[O-])c(N)c1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
PKM P14618 1/20 0.31
TXNRD1 Q16881 2/20 0.31
ATM Q13315 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10694492 0.81 ALDH1A1 (0.33) ALOX15MAPTKMT2AALDH1A1MEN1
SCHEMBL10693379 0.80 APP (0.33) MAPTKMT2AALDH1A1MEN1TXNRD1
SCHEMBL10630338 0.72 CA2 (0.37) ALOX15MAPTKMT2AALDH1A1MEN1
SCHEMBL28953856 0.68 TDP1 (0.44) FBP1ALOX15ALOX12
SCHEMBL10636690 0.67 TXNRD1 (0.41) ALOX15ALOX12KMT2AALDH1A1PKM
SCHEMBL10636561 0.65 TXNRD1 (0.36) MAPTALDH1A1TXNRD1
SCHEMBL5297157 0.65 TAAR1 (0.41)
SCHEMBL10691584 0.64 KDM4E (0.32) MAPTALDH1A1
SCHEMBL6130329 0.64 ALDH1A1 (0.55) KMT2AALDH1A1MEN1POLB
SCHEMBL6130330 0.64 ALDH1A1 (0.55) KMT2AALDH1A1MEN1POLB

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-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed