SCHEMBL10710252

SCHEMBL10710252

C/C(=N\c1ccccc1)C(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 0.50
▸ NOS3 P29474 4/20 0.50
▸ CRHR1 P34998 3/20 0.43
▸ HTR3E A5X5Y0 1/20 0.41
▸ SLC22A2 O15244 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ SLC22A3 O75751 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NOS2 P35228 2/20 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
SCHEMBL9198559 0.82 NOS3 (0.48) NOS1NOS3CRHR1HTR3ESLC22A2
SCHEMBL9198554 0.82 NOS3 (0.48) NOS1NOS3CRHR1HTR3ESLC22A2
SCHEMBL9198853 0.80 NOS3 (0.47) NOS1NOS3CRHR1HTR3ESLC22A2
SCHEMBL9198848 0.80 NOS3 (0.47) NOS1NOS3CRHR1HTR3ESLC22A2
SCHEMBL9198491 0.76 NOS3 (0.42) NOS1NOS3CRHR1ALDH1A1ALOX12
SCHEMBL9198480 0.76 NOS3 (0.42) NOS1NOS3CRHR1ALDH1A1ALOX12
SCHEMBL1037101 0.76 NOS1 (0.56) NOS1NOS3CRHR1HTR3ESLC22A2
SCHEMBL1037102 0.76 NOS1 (0.56) NOS1NOS3CRHR1HTR3ESLC22A2
SCHEMBL19150099 0.74 NOS1 (0.54) NOS1NOS3CRHR1HTR3ESLC22A2
SCHEMBL20657618 0.74 NOS1 (0.54) NOS1NOS3CRHR1HTR3ESLC22A2

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
EP-0149971-B1 USE OF A ONE-PACK EPOXY-COATING MATERIAL FOR THE COATING OF FIXED RESISTANCES CIBA-GEIGY AG (CH) 1988-09-28 — — EP disclosed
EP-0149971-A1 Use of a one-pack epoxy-coating material for the coating of fixed resistances CIBA-GEIGY AG (CH) 1985-07-31 — — EP disclosed
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