SCHEMBL11268189

SCHEMBL11268189

COc1ccc(CC2(CCCn3ccnc3)SCCCS2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
QPCT Q16769 4/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
GMNN O75496 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
SCHEMBL11265418 0.96 MEN1 (0.54) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11289197 0.93 MEN1 (0.48) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11261162 0.89 MEN1 (0.50) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11251892 0.88 QPCT (0.47) QPCTALDH1A1TSHRLMNACYP19A1
SCHEMBL11255616 0.86 CYP19A1 (0.46) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11265708 0.85 CYP2A6 (0.48) QPCTALDH1A1TP53CYP1A2CYP3A4
SCHEMBL11253718 0.85 QPCT (0.46) QPCTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL11267575 0.85 CYP19A1 (0.46) CYP19A1
SCHEMBL11268918 0.84 MEN1 (0.49) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11269437 0.83 QPCT (0.49) QPCTALDH1A1TSHRLMNACYP19A1

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