SCHEMBL11640934

SCHEMBL11640934

CC(O)(CCCn1ccnc1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
QPCT Q16769 2/20 0.49
NOS1 P29475 3/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TBXAS1 P24557 2/20 0.46
CYP17A1 P05093 2/20 0.45
PRKCI P41743 1/20 0.44

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
SCHEMBL11492895 0.88 CYP17A1 (0.53) CYP19A1POLBMEN1KMT2AQPCT
SCHEMBL9200864 0.86 CYP19A1 (0.58) CYP19A1POLBMEN1KMT2AQPCT
SCHEMBL11495476 0.85 POLB (0.49) CYP19A1POLBMEN1KMT2ANOS1
SCHEMBL11386867 0.81 CYP11B1 (0.48) CYP19A1POLBMEN1KMT2ACYP11B1
SCHEMBL11485554 0.78 HSD11B1 (0.43) CYP19A1POLBMEN1KMT2AQPCT
SCHEMBL11390051 0.78 TBXAS1 (0.49) CYP19A1POLBMEN1KMT2ACYP11B1
SCHEMBL11492996 0.76 KMT2A (0.43) CYP19A1POLBMEN1KMT2ANOS1
SCHEMBL11643688 0.76 CYP19A1 (0.56) CYP19A1POLBQPCTCYP11B1CYP11B2
SCHEMBL11496380 0.76 CYP11B1 (0.57) CYP19A1POLBMEN1KMT2ACYP11B1
SCHEMBL11492756 0.75 CYP11B1 (0.47) POLBMEN1KMT2AQPCTCYP11B1

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-4123542-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOAL AGENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 US disclosed