SCHEMBL28293863

SCHEMBL28293863

CCCc1ccccc1C(=S)S

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.40
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 0.35
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL7085183 0.89 LIPG (0.44) FOLH1LIPGALDH1A1LMNAHTT
SCHEMBL11533458 0.85 LIPG (0.54) KMT2ALIPGHTTTP53
SCHEMBL7997409 0.85 LIPG (0.54) KMT2ALIPGHTTTP53
SCHEMBL11532380 0.85 LIPG (0.54) KMT2ALIPGHTTTP53
SCHEMBL11533404 0.85 LIPG (0.54) KMT2ALIPGHTTTP53
SCHEMBL11534276 0.85 LIPG (0.54) KMT2ALIPGHTTTP53
SCHEMBL166286 0.83 GABRA1 (0.43) FOLH1KMT2AALDH1A1HTTTP53
SCHEMBL11430114 0.82 KMT2A (0.43) FOLH1KMT2AKDRHCRTR1HCRTR2
SCHEMBL7896315 0.80 KMT2A (0.42) FOLH1KMT2AKDRHCRTR1HCRTR2
SCHEMBL13771152 0.80 FOLH1 (0.36) FOLH1KMT2AKDRHCRTR1HCRTR2

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-109796567-A A kind of orientation self-assembled block copolymers and its synthesis and application method containing liquid crystal cells 复旦大学 2019-05-24 CN disclosed