SCHEMBL12825057

SCHEMBL12825057

CCc1ccc(-c2cc3c(OCC(F)(F)F)c(C(=O)NC4CCN(C(=O)CO)CC4)[nH]c3nc2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.44
▸ SYK P43405 1/20 0.38
▸ EPHX2 P34913 7/20 0.38
▸ SSTR5 P35346 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ F2R P25116 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL12824720 0.94 SMO (0.44) SMOSYKEPHX2SSTR5HSD17B10
SCHEMBL12825055 0.94 SMO (0.44) SMOSYKEPHX2SSTR5HDAC4
SCHEMBL12824862 0.94 SMO (0.44) SMOSYKEPHX2SSTR5HSD17B10
SCHEMBL12824616 0.93 SMO (0.43) SMOSYKEPHX2HSD17B10
SCHEMBL12824594 0.93 SMO (0.43) SMOEPHX2KMT2A
SCHEMBL12825019 0.93 SMO (0.44) SMOEPHX2SSTR5JAK2JAK1
SCHEMBL12824858 0.91 SMO (0.45) SMOSYKEPHX2JAK2JAK1
SCHEMBL12824713 0.90 SMO (0.43) SMOEPHX2JAK2JAK1JAK3
SCHEMBL12825022 0.90 SMO (0.43) SMOEPHX2HSD17B10JAK2JAK1
SCHEMBL12824615 0.89 SMO (0.44) SMOSYKEPHX2HSD17B10

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
WO-2011024869-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2011-03-03 — — WO disclosed
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