SCHEMBL28236161

SCHEMBL28236161

CCc1ccc(C(=S)NC2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 5/20 0.67
RAB9A P51151 4/20 0.67
HPGD P15428 4/20 0.67
NPC1 O15118 3/20 0.67
LMNA P02545 3/20 0.63
HTT P42858 1/20 0.63
APOBEC3G Q9HC16 2/20 0.59
POLB P06746 1/20 0.56
PTPN7 P35236 2/20 0.54
DUSP3 P51452 2/20 0.54
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL21741924 0.81 NPC1 (0.68) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL13766441 0.81 NPC1 (0.69) MAPTMEN1KMT2ARAB9AHPGD
SCHEMBL13754022 0.79 NPC1 (0.66) MAPTMEN1KMT2ARAB9AHPGD
SCHEMBL9317294 0.78 RAB9A (0.63) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL29816686 0.76 EPHX1 (0.68) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL17845249 0.75 NPC1 (0.61) MAPTMEN1KMT2ARAB9AHPGD
SCHEMBL8272807 0.71 PLK1 (0.59) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5650437 0.71 MEN1 (0.58) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL25133156 0.70 NPC1 (0.59) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL17335877 0.70 HRH3 (0.72) MAPTMEN1KMT2AALDH1A1RAB9A

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
CN-106829876-B The recoverying and utilizing method of oil plant sulfur removal plant sulphur steam 洛阳九成新材料技术有限公司 2018-09-04 CN disclosed