SCHEMBL11635372

SCHEMBL11635372

OC(/C=C/c1ccc(F)cc1)Cn1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
TBXAS1 P24557 4/20 0.42
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
QPCT Q16769 1/20 0.41
POLB P06746 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
SCHEMBL11635373 1.00 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL11638086 0.86 ADRA2C (0.51) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL11635085 0.86 ALDH1A1 (0.52) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL11638091 0.86 ADRA2C (0.51) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL11635026 0.86 AGER (0.48) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL11631263 0.86 AGER (0.48) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL11632047 0.83 KMT2A (0.45) CYP19A1TBXAS1CYP1A2USP2LMNA
SCHEMBL11632050 0.83 KMT2A (0.45) CYP19A1TBXAS1CYP1A2USP2LMNA
SCHEMBL9532543 0.75 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2LMNACYP3A4
SCHEMBL7562437 0.75 CYP19A1 (0.72) CYP19A1

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-4078071-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1978-03-07 US disclosed
US-4045568-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-30 US disclosed