SCHEMBL19976444

SCHEMBL19976444

Cc1cn(-c2ccc(C(=O)NCCC(F)(F)F)cc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.46
▸ P2RY14 Q15391 4/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ MLYCD O95822 1/20 0.44
▸ DGAT1 O75907 5/20 0.43
▸ ACKR3 P25106 2/20 0.43
▸ GLP1R P43220 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ GIPR P48546 1/20 0.42
▸ DDT P30046 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NME4 O00746 1/20 0.40
▸ GCDH Q92947 1/20 0.40
▸ SIRT5 Q9NXA8 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
SCHEMBL19976445 0.86 MIF (0.53) MIFP2RY14OPRD1SIGMAR1MLYCD
SCHEMBL16964139 0.85 AR (0.46) MIFP2RY14OPRD1SIGMAR1MLYCD
SCHEMBL16963676 0.84 NOTUM (0.59) MIFMAPT
SCHEMBL17000543 0.84 MIF (0.48) MIFP2RY14OPRD1SIGMAR1DGAT1
SCHEMBL16996775 0.84 NOTUM (0.53) MIFP2RY14OPRD1SIGMAR1MLYCD
SCHEMBL19976501 0.83 MIF (0.43) MIFP2RY14OPRD1SIGMAR1MLYCD
SCHEMBL16964675 0.83 MIF (0.50) MIFP2RY14OPRD1SIGMAR1MLYCD
SCHEMBL16991070 0.82 MIF (0.52) MIFP2RY14OPRD1SIGMAR1DGAT1
SCHEMBL16964546 0.82 DDX3X (0.53) MIFP2RY14OPRD1SIGMAR1RAB9A
SCHEMBL16964165 0.81 MIF (0.46) MIFP2RY14OPRD1SIGMAR1DGAT1

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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