SCHEMBL7741263

SCHEMBL7741263

O=c1[nH]c2cc(Cl)c(-c3ccc([N+](=O)[O-])cc3)cc2cc1P(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
NPBWR1 P48145 6/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CASP3 P42574 1/20 0.41
MMP13 P45452 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7734991 0.89 GRIN2D (0.44) NPBWR1NPC1MAPTHTTRAB9A
SCHEMBL7740551 0.83 PRKAG1 (0.43) KMT2ACYP1A2GSK3B
SCHEMBL6935464 0.83 PRKAG1 (0.43) CYP1A2GSK3B
SCHEMBL7742754 0.83 PRKAG1 (0.42)
SCHEMBL7742768 0.83 CYP1A2 (0.41) NPBWR1NPC1MAPTHTTRAB9A
SCHEMBL7742775 0.83 CYP1A2 (0.40) NPBWR1CYP1A2GSK3B
SCHEMBL7741098 0.82 PTGS2 (0.38)
SCHEMBL7739877 0.81 RHEB (0.43)
SCHEMBL28747976 0.81 PRKAG1 (0.37)
SCHEMBL6940851 0.81 TNKS (0.39) CYP1A2

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-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed