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SCHEMBL5247451

SCHEMBL5247451

C=CCCCOc1cc(C(=O)NCC(F)(F)F)ccc1-n1cc(C(=O)NCCSCC)nn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.34
▸ DGAT1 O75907 5/20 0.33
▸ ACKR3 P25106 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL5248452 0.91 BRD4 (0.36) SMPD1ACKR3PKMTP53MAPT
SCHEMBL5244319 0.91 MEN1 (0.36) SMPD1DGAT1ACKR3TP53MAPT
SCHEMBL3116642 0.91 TP53 (0.40) SMPD1TP53SMN1; SMN2
SCHEMBL3111906 0.91 SMPD1 (0.38) SMPD1DGAT1ACKR3NOTUM
SCHEMBL5244504 0.90 SMPD1 (0.38) SMPD1DGAT1ACKR3PKMTP53
SCHEMBL5244643 0.90 KMT2A (0.41) ACKR3TP53MAPTSMN1; SMN2
SCHEMBL5247629 0.90 DGAT1 (0.34) SMPD1DGAT1ACKR3TP53NOTUM
SCHEMBL5249178 0.90 SMPD1 (0.34) SMPD1DGAT1ACKR3NOTUM
SCHEMBL5244268 0.89 PDK2 (0.35) SMPD1DGAT1ACKR3
SCHEMBL5244575 0.89 BRAF (0.36) ACKR3

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