SCHEMBL16429897

SCHEMBL16429897

COc1ccc(CCN2CC([C@@H](O)C(F)F)CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL14662358 0.87 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16430127 0.86 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16429891 0.85 KMT2A (0.47) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16430035 0.84 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL16430114 0.84 KMT2A (0.47) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16430468 0.84 KMT2A (0.47) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16430124 0.83 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16430034 0.82 KMT2A (0.45) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL16429945 0.79 KMT2A (0.42) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16430048 0.77 KCNA5 (0.46) KMT2AMEN1GSK3AGSK3BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 — — EP disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 — — WO disclosed
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