SCHEMBL11277575

SCHEMBL11277575

O=C(c1ccccc1)c1ccc2nc(CO)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.72
ABL1 P00519 4/20 0.66
ALDH1A1 P00352 3/20 0.66
POLB P06746 2/20 0.66
HPGD P15428 2/20 0.66
RAB9A P51151 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
FABP6 P51161 1/20 0.66
ESR1 P03372 1/20 0.57
HTT P42858 2/20 0.56
ABCC4 O15439 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
KDR P35968 1/20 0.56
HIF1A Q16665 1/20 0.56
CHEK2 O96017 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4345082 0.89 NPSR1 (0.56) NPSR1ABL1ALDH1A1POLBHPGD
SCHEMBL4065084 0.87 ABL1 (0.64) NPSR1ABL1ALDH1A1POLBHPGD
SCHEMBL13544348 0.85 NPSR1 (0.97) NPSR1ALDH1A1SMN1; SMN2CHEK2TDP1
SCHEMBL14642947 0.79 ABL1 (0.69) NPSR1ABL1ALDH1A1POLBHPGD
SCHEMBL16134552 0.79 ABL1 (0.69) ABL1ALDH1A1POLBHPGDRAB9A
SCHEMBL3499235 0.79 ABL1 (1.00) ABL1ALDH1A1POLBHPGDRAB9A
SCHEMBL29575638 0.79 ABL1 (1.00) ABL1ALDH1A1POLBHPGDRAB9A
SCHEMBL12909208 0.79 ALDH1A1 (1.00) ABL1ALDH1A1POLBHPGDRAB9A
SCHEMBL2243148 0.78 CHEK2 (0.80) NPSR1ABL1ALDH1A1POLBHPGD
SCHEMBL9665296 0.78 RAB9A (0.62) ABL1ALDH1A1POLBHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed