SCHEMBL19976445

SCHEMBL19976445

CCc1cn(-c2ccc(C(=O)NCCC(F)(F)F)cc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 4/20 0.53
▸ NOTUM Q6P988 1/20 0.45
▸ DGAT1 O75907 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ FOLH1 Q04609 4/20 0.44
▸ P2RY14 Q15391 2/20 0.43
▸ DDX3X O00571 2/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MLYCD O95822 1/20 0.42
▸ ACKR3 P25106 1/20 0.42

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
SCHEMBL16963676 0.89 NOTUM (0.59) MIFNOTUMMAOAMAOBFOLH1
SCHEMBL16964675 0.88 MIF (0.50) MIFNOTUMDGAT1MAOAMAOB
SCHEMBL16964546 0.87 DDX3X (0.53) MIFNOTUMMAOAMAOBFOLH1
SCHEMBL16991070 0.87 MIF (0.52) MIFNOTUMDGAT1MAOAMAOB
SCHEMBL16964548 0.86 DDX3X (0.56) MIFDGAT1FOLH1DDX3X
SCHEMBL19976444 0.86 MIF (0.46) MIFDGAT1P2RY14OPRD1SIGMAR1
SCHEMBL19976510 0.84 FOLH1 (0.47) MIFDGAT1FOLH1DDX3X
SCHEMBL16964139 0.83 AR (0.46) MIFDGAT1P2RY14OPRD1SIGMAR1
SCHEMBL17000543 0.82 MIF (0.48) MIFDGAT1MAOAMAOBP2RY14
SCHEMBL16996775 0.82 NOTUM (0.53) MIFNOTUMDGAT1P2RY14OPRD1

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
US-9920042-B2 Compounds for use in the treatment of mycobacterial infections UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-03-20 — — US disclosed
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