SCHEMBL11262007

SCHEMBL11262007

c1ccc(CC2(CCn3ccnc3)SCCCS2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
QPCT Q16769 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
TBXAS1 P24557 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
LTA4H P09960 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HMOX1 P09601 1/20 0.41
KMT2A Q03164 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
SCHEMBL11259165 0.95 CYP19A1 (0.49) CYP19A1QPCTCYP11B1CYP11B2TBXAS1
SCHEMBL11253718 0.93 QPCT (0.46) CYP19A1QPCTCYP11B1CYP11B2TBXAS1
SCHEMBL11266726 0.89 HMOX1 (0.46) CYP19A1QPCTCYP11B1CYP11B2TBXAS1
SCHEMBL11253258 0.88 CYP2A6 (0.50) CYP19A1QPCTCYP11B1CYP11B2HMOX1
SCHEMBL11258631 0.88 CYP11B1 (0.49) CYP19A1QPCTCYP11B1CYP11B2POLB
SCHEMBL11269020 0.88 HMOX1 (0.50) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11258481 0.87 CYP11B1 (0.49) CYP19A1QPCTCYP11B1CYP11B2TBXAS1
SCHEMBL11254617 0.85 CYP19A1 (0.40) CYP19A1TBXAS1HMOX1KMT2A
SCHEMBL11289197 0.84 MEN1 (0.48) CYP19A1QPCTCYP11B1TBXAS1CYP1A2
SCHEMBL11265147 0.84 HMOX1 (0.47) CYP19A1QPCTTBXAS1CYP1A2CYP3A4

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed