SCHEMBL29328417

SCHEMBL29328417

CCCOc1ccc(Br)c2c(=O)c3ccc(-c4cc(Cl)c5c(=O)c6ccccc6sc5c4CC)cc3sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
PTPN1 P18031 3/20 0.31
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
PTPRA P18433 1/20 0.31
PTPRB P23467 1/20 0.31
PTPN6 P29350 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
MAOA P21397 9/20 0.31
MAOB P27338 9/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL29785792 0.82 MAPT (0.43) NPC1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL1615138 0.82 MAPT (0.43) NPC1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL29428465 0.78 MAPT (0.43) MCL1NPC1CYP1A2CYP3A4MAPT
SCHEMBL108341 0.78 MAPT (0.43) MCL1NPC1CYP1A2CYP3A4MAPT
SCHEMBL29353913 0.78 MAPT (0.43) MCL1NPC1CYP1A2CYP3A4MAPT
SCHEMBL28557156 0.73 MAPT (0.42) MCL1NPC1CYP1A2CYP3A4MAPT
SCHEMBL25768555 0.73 MAPT (0.44) NPC1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL4330332 0.72 KDM4E (0.55) NPC1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL4376366 0.72 MAPT (0.41) NPC1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL18202638 0.72 MAPT (0.46) NPC1CYP1A2CYP3A4MAPTCYP2C9

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-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed