SCHEMBL11243475

SCHEMBL11243475

CC(C(=O)c1ccc(Cl)cc1)n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
CYP3A4 P08684 3/20 0.50
MEN1 O00255 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP26A1 O43174 2/20 0.48
CYP24A1 Q07973 3/20 0.46
CYP27B1 O15528 2/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL7241225 0.84 TBXA2R (0.54) CYP19A1CYP3A4MEN1ADRA1AKMT2A
Hydrochloric Acid SCHEMBL412293 0.83 TBXA2R (0.53) CYP19A1CYP3A4MEN1ADRA1AKMT2A
SCHEMBL10564669 0.83 CYP19A1 (0.53) CYP19A1CYP3A4MEN1ADORA3CHRM1
Hydrochloric Acid SCHEMBL9850447 0.81 CYP17A1 (0.49) CYP3A4KMT2ACYP26A1CYP24A1CYP2D6
SCHEMBL10972294 0.80 MAPT (0.46) CYP19A1CYP3A4MEN1ADORA3CHRM1
Hydrochloric Acid SCHEMBL11364067 0.78 CYP24A1 (0.57) CYP19A1CYP24A1TBXA2R
SCHEMBL11044578 0.77 CYP3A4 (0.69) CYP19A1CYP3A4MEN1ADORA3CHRM1
SCHEMBL11224914 0.75 CYP19A1 (0.48) CYP19A1CYP3A4MEN1ADORA3CHRM1
SCHEMBL6318924 0.74 TBXA2R (0.57) CYP19A1CYP24A1CYP27B1TBXA2R
SCHEMBL27356213 0.73 CYP17A1 (0.61) CYP19A1CYP3A4MEN1ADRA1AKMT2A

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-4351948-A Imidazole hydrazone derivatives G.D. SEARLE & CO. (US) 1982-09-28 US disclosed