SCHEMBL20116733

SCHEMBL20116733

Cc1nn(C)c2cc(-c3noc(C4CCN(C=O)CC4(F)F)n3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.36
KIT P10721 4/20 0.36
GRM5 P41594 8/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H4 Q96RI1 2/20 0.32

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
SCHEMBL20117230 0.84 HTT (0.44) SCD5NPC1LMNAHTTRAB9A
SCHEMBL20116667 0.84 SCD5 (0.37) SCD5KITGRM5LMNA
SCHEMBL20676707 0.83 SCD5 (0.35) SCD5KITGRM5LMNA
SCHEMBL20116702 0.83 SCD5 (0.35) SCD5KITGRM5LMNA
SCHEMBL20116937 0.81 GPR119 (0.42) SCD5
SCHEMBL20116696 0.81 SCD5 (0.36) SCD5KITGRM5LMNA
SCHEMBL22357941 0.81 NR1H4 (0.39) SCD5KITGRM5NPC1RAB9A
SCHEMBL20116482 0.79 LDHA (0.41) SCD5KITLMNANR1H4
SCHEMBL20676442 0.79 LDHA (0.41) SCD5KITLMNANR1H4
SCHEMBL20116447 0.79 LDHA (0.41) SCD5KITLMNANR1H4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed