SCHEMBL19497982

SCHEMBL19497982

COc1ccc(C(C)N2CC(C(O)C(F)Sc3ccccc3)CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B2 P37059 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ OPRM1 P35372 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ACP3 P15309 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
SCHEMBL16427649 0.84 SMN1; SMN2 (0.43) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL19499071 0.84 SMN1; SMN2 (0.43) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL16428153 0.81 KMT2A (0.42) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL19499465 0.80 KMT2A (0.42) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL19947558 0.79 SMN1; SMN2 (0.46) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL18645260 0.79 SMN1; SMN2 (0.46) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL16428059 0.79 SMN1; SMN2 (0.46) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL524313 0.79 SMN1; SMN2 (0.46) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL16428060 0.79 SMN1; SMN2 (0.46) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1
SCHEMBL17102255 0.79 SMN1; SMN2 (0.46) KMT2AHSD17B2SMN1; SMN2MAPK1HSD11B1

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
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 — — EP disclosed
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