SCHEMBL10922968

SCHEMBL10922968

Cc1csc(CCC(Cn2ccnc2)Oc2ccc(N)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.40
▸ TBXAS1 P24557 4/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ QPCT Q16769 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10925029 0.85 RAB9A (0.52) CYP19A1TBXAS1KMT2ALMNAGAA
SCHEMBL10926775 0.83 CYP19A1 (0.42) CYP19A1TBXAS1CYP11B1CYP11B2QPCT
SCHEMBL10928334 0.82 CYP19A1 (0.43) CYP19A1TBXAS1CYP11B1CYP11B2GAA
SCHEMBL10925433 0.82 CYP11B1 (0.46) CYP19A1TBXAS1CYP11B1CYP11B2QPCT
SCHEMBL10925599 0.80 CYP19A1 (0.41) CYP19A1TBXAS1CYP11B1CYP11B2QPCT
SCHEMBL10922983 0.80 CYP19A1 (0.43) CYP19A1TBXAS1CYP11B1CYP11B2QPCT
SCHEMBL10927416 0.79 CYP19A1 (0.42) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL10927545 0.78 CYP19A1 (0.47) CYP19A1TBXAS1CYP11B1CYP11B2KMT2A
SCHEMBL10925006 0.78 TBXAS1 (0.36) CYP19A1TBXAS1CYP11B1CYP11B2KMT2A
SCHEMBL10925055 0.78 IDO1 (0.45) CYP19A1TBXAS1CYP11B1CYP11B2

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-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 — — US disclosed
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