SCHEMBL9738504

SCHEMBL9738504

CC1CSC(c2cccnc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ RIPK1 Q13546 1/20 0.40

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
SCHEMBL9738499 0.88 ALDH1A1 (0.44) GPR119ALDH1A1KDM4EMEN1MAPT
SCHEMBL9250150 0.86 KDM4E (0.46) GPR119ALDH1A1KDM4E
SCHEMBL8870492 0.86 KDM4E (0.46) GPR119ALDH1A1KDM4E
SCHEMBL3827938 0.86 KDM4E (0.46) GPR119ALDH1A1KDM4E
SCHEMBL3826056 0.86 KDM4E (0.46) GPR119ALDH1A1KDM4E
SCHEMBL9264341 0.85 GPR119 (0.42) GPR119ALDH1A1KDM4EMEN1MAPT
SCHEMBL9645053 0.85 GPR119 (0.42) GPR119ALDH1A1KDM4EMEN1MAPT
SCHEMBL9717959 0.85 GPR119 (0.42) GPR119ALDH1A1KDM4EMEN1MAPT
SCHEMBL9263028 0.85 ALDH1A1 (0.42) GPR119ALDH1A1KDM4EMEN1MAPT
SCHEMBL16775110 0.85 ABCB1 (0.46) GPR119ALDH1A1MEN1KMT2ARIPK1

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-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO disclosed
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