SCHEMBL8986571

SCHEMBL8986571

O=[N+]([O-])/C=C/c1cn(Cc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.70
MAPT P10636 10/20 0.70
NPSR1 Q6W5P4 7/20 0.70
HTT P42858 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
HSP90AA1 P07900 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
ATM Q13315 1/20 0.70
LMNA P02545 5/20 0.69
MAPK1 P28482 2/20 0.69
PKM P14618 2/20 0.69
HPGD P15428 1/20 0.69
GPR55 Q9Y2T6 1/20 0.69
ALOX12 P18054 1/20 0.66

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
SCHEMBL8757527 1.00 ALDH1A1 (0.70) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8986557 0.83 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8758840 0.83 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL6802019 0.81 ALDH1A1 (0.70) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8986584 0.80 ALDH1A1 (0.74) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8758713 0.80 ALDH1A1 (0.74) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8758340 0.80 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8986604 0.80 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL9500175 0.79 ALDH1A1 (0.73) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8758882 0.79 ALDH1A1 (0.73) ALDH1A1MAPTNPSR1HTTSMN1; 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