SCHEMBL9738499

SCHEMBL9738499

[CH2]C1CSC(c2cccnc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ GPR119 Q8TDV5 1/20 0.44
▸ 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
▸ TDP1 Q9NUW8 1/20 0.40
▸ 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
SCHEMBL9738504 0.88 GPR119 (0.44) ALDH1A1GPR119KDM4EMEN1MAPT
SCHEMBL9250150 0.86 KDM4E (0.46) ALDH1A1GPR119KDM4E
SCHEMBL8870492 0.86 KDM4E (0.46) ALDH1A1GPR119KDM4E
SCHEMBL3826056 0.86 KDM4E (0.46) ALDH1A1GPR119KDM4E
SCHEMBL3827938 0.86 KDM4E (0.46) ALDH1A1GPR119KDM4E
SCHEMBL9645053 0.85 GPR119 (0.42) ALDH1A1GPR119KDM4EMEN1MAPT
SCHEMBL9717959 0.85 GPR119 (0.42) ALDH1A1GPR119KDM4EMEN1MAPT
SCHEMBL9264341 0.85 GPR119 (0.42) ALDH1A1GPR119KDM4EMEN1MAPT
SCHEMBL9263028 0.85 ALDH1A1 (0.42) ALDH1A1GPR119KDM4EMEN1MAPT
SCHEMBL9717989 0.84 GPR119 (0.41) ALDH1A1GPR119KDM4EMEN1MAPT

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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