SCHEMBL6573561

SCHEMBL6573561

CC(=O)Nc1ccc([N+](=O)[O-])cc1OCCCn1cc[n+](CCCOc2cc([N+](=O)[O-])ccc2NC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.52
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.42
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41

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
Hydrochloric Acid SCHEMBL7966216 0.99 CYP19A1 (0.51) CYP19A1ALDH1A1KMT2AMAPTEPHX1
SCHEMBL5718386 0.90 CYP19A1 (0.53) CYP19A1ALDH1A1KMT2AMAPTEPHX1
Hydrochloric Acid SCHEMBL7252501 0.90 CYP19A1 (0.53) CYP19A1ALDH1A1KMT2AMAPTEPHX1
SCHEMBL6572111 0.84 ALDH1A1 (0.36) CYP19A1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6572085 0.83 SMN1; SMN2 (0.44) CYP19A1ALDH1A1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7642086 0.82 SMN1; SMN2 (0.44) CYP19A1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL11407797 0.80 CYP19A1 (0.71) CYP19A1ALDH1A1KMT2AMAPTEPHX1
SCHEMBL11405969 0.80 CYP19A1 (0.71) CYP19A1ALDH1A1KMT2AMAPTEPHX1
SCHEMBL6569997 0.80 ALDH1A1 (0.55) CYP19A1ALDH1A1KMT2AMEN1POLB
SCHEMBL11418021 0.79 CYP19A1 (0.73) CYP19A1ALDH1A1KMT2AMAPTEPHX1

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
EP-0932602-B1 BASES OF CATIONIC OXIDATION, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYE COMPOSITIONS AND DYEING PROCESSES OREAL (FR) 2004-03-03 EP disclosed