SCHEMBL11229124

SCHEMBL11229124

O=C(O)C(=O)Nc1ccc2ccc(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.55
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 8/20 0.51
CA9 Q16790 6/20 0.50
HPGD P15428 5/20 0.50
CA12 O43570 5/20 0.50
GAA P10253 4/20 0.50
HSD17B10 Q99714 4/20 0.50
KMT2A Q03164 3/20 0.50
GLA P06280 3/20 0.50
MEN1 O00255 2/20 0.50
AKR1B1 P15121 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
MCL1 Q07820 2/20 0.50
ERAP1 Q9NZ08 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
GPR35 Q9HC97 1/20 0.49

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
SCHEMBL7917214 0.83 ALDH1A1 (0.51) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL7915734 0.83 KDM4E (0.48) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL9080916 0.82 DRD4 (0.53) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL27886642 0.82 CA9 (0.61) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL11229120 0.79 CA12 (0.53) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL7917887 0.78 CA12 (0.52) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL10024912 0.78 KDM4E (0.64) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL9081412 0.77 ALDH1A1 (0.55) DRD4KDM4EALDH1A1CA9HPGD
SCHEMBL8834885 0.76 CA12 (0.56) KDM4EALDH1A1CA9CA12SMN1; SMN2
SCHEMBL8834873 0.76 CA12 (0.58) DRD4KDM4EALDH1A1CA9CA12

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-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed