SCHEMBL8986539

SCHEMBL8986539

Cc1ccc(Cn2cc(/C=C/[N+](=O)[O-])c3ccccc32)cc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.77
▸ MAPT P10636 11/20 0.77
▸ NPSR1 Q6W5P4 6/20 0.77
▸ LMNA P02545 6/20 0.77
▸ SMN1; SMN2 Q16637 8/20 0.71
▸ HTT P42858 6/20 0.71
▸ KMT2A Q03164 6/20 0.71
▸ MEN1 O00255 5/20 0.71
▸ HSP90AA1 P07900 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ ATM Q13315 1/20 0.71
▸ ALOX12 P18054 1/20 0.70
▸ POLB P06746 1/20 0.60
▸ PKM P14618 2/20 0.60
▸ GAA P10253 1/20 0.58
▸ MAPK1 P28482 2/20 0.57

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
SCHEMBL8758807 1.00 ALDH1A1 (0.77) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8986638 0.86 ALDH1A1 (0.81) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8758274 0.86 ALDH1A1 (0.81) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL9500175 0.84 ALDH1A1 (0.73) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8758882 0.84 ALDH1A1 (0.73) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8758264 0.84 ALDH1A1 (0.65) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8986557 0.83 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8758840 0.83 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8986604 0.83 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL8758340 0.83 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 — — US disclosed
US-5229505-A CNS and cardiovascular effects LABORATOIRES UPSA (FR) 1993-07-20 — — US disclosed
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