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SCHEMBL5244504

SCHEMBL5244504

CCSCCNC(=O)c1cn(-c2ccc(C(=O)NCC(F)(F)F)cc2OCCCCCCF)nn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.38
▸ CNR2 P34972 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL5247137 0.92 SMPD1 (0.40) SMPD1CNR2PKMACKR3TP53
SCHEMBL5247451 0.90 SMPD1 (0.34) SMPD1CNR2PKMACKR3TP53
SCHEMBL3115558 0.90 TP53 (0.41) SMPD1CNR2TP53S1PR1SMN1; SMN2
SCHEMBL3115101 0.90 SMPD1 (0.43) SMPD1CNR2ACKR3S1PR1DGAT1
SCHEMBL5244654 0.89 SMPD1 (0.39) SMPD1CNR2ACKR3TP53SMN1; SMN2
SCHEMBL5247505 0.89 SMPD1 (0.38) SMPD1CNR2ACKR3S1PR1DGAT1
SCHEMBL5246678 0.89 SMPD1 (0.39) SMPD1ACKR3S1PR1DGAT1
SCHEMBL5244453 0.88 KMT2A (0.41) SMPD1MAPTSMN1; SMN2
SCHEMBL5244759 0.88 SMPD1 (0.38) SMPD1ACKR3S1PR1
SCHEMBL5249127 0.88 SMPD1 (0.37) SMPD1ACKR3

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-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed