SCHEMBL9845199

SCHEMBL9845199

ClCCCc1cncn1Cc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.56
CYP11B2 P19099 11/20 0.56
ADRA2C P18825 1/20 0.45
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
IDO1 P14902 3/20 0.40
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9845223 0.87 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CFNTAFNTB
SCHEMBL9263763 0.85 CYP11B1 (0.76) CYP11B1CYP11B2IDO1CYP19A1
SCHEMBL7250957 0.81 CYP11B1 (0.52) CYP11B1CYP11B2ADRA2CFNTAFNTB
SCHEMBL27837252 0.78 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBYTHDC1
SCHEMBL3822189 0.76 CYP11B1 (0.57) CYP11B1CYP11B2IDO1CYP19A1SMN1; SMN2
SCHEMBL1039674 0.76 CYP11B1 (0.51) CYP11B1CYP11B2IDO1CYP19A1
Hydrochloric Acid SCHEMBL6601205 0.75 TAAR1 (0.41) CYP11B1CYP11B2ADRA2CIDO1
SCHEMBL1041043 0.73 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL27837146 0.73 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBYTHDC1
SCHEMBL3828919 0.73 CYP11B1 (0.78) CYP11B1CYP11B2CYP19A1

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-5066656-A Aromatase inhibitor, prevention of biosynthesis of estrogens, treatment of estrogen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-11-19 US disclosed
EP-0426225-A2 (6,7-dihydro-5H-pyrrolo[1,2-c]-imidazol-5-yl)- and (5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl) substituted 1H-benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1991-05-08 EP disclosed