SCHEMBL9626541

SCHEMBL9626541

O=C(OCc1ccccc1)N(CCO)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
CYP19A1 P11511 3/20 0.43
CTSB P07858 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
PDE1C Q14123 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9626499 0.84 ACHE (0.41) ALDH1A1LMNACYP19A1MAPTKMT2A
SCHEMBL9525132 0.84 CYP19A1 (0.51) ITGA4ITGB7ALDH1A1CYP19A1CRHBP
SCHEMBL27587729 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL9628015 0.77 RAB9A (0.49) ALDH1A1LMNACYP19A1RAB9ANPC1
Water SCHEMBL9627251 0.76 RAB9A (0.48) ALDH1A1LMNACYP19A1RAB9ANPC1
Water SCHEMBL9627262 0.76 RAB9A (0.48) ALDH1A1LMNACYP19A1RAB9ANPC1
SCHEMBL2433842 0.74 LMNA (0.41) ALDH1A1LMNAMAPTKMT2A
SCHEMBL19511793 0.73 TDP1 (0.60) ITGA4ITGB7ALDH1A1LMNACYP19A1
SCHEMBL110420 0.72 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL12311314 0.72 PAX8 (0.49) ALDH1A1LMNARAB9ANPC1MAPT

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-5145483-A Hair dyes L'OREAL (FR) 1992-09-08 US disclosed