SCHEMBL28997071

SCHEMBL28997071

C=CC(=O)Nc1ccc2c(c1)C(OCCC(F)(F)F)CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 8/20 0.40
▸ MTNR1A P48039 5/20 0.39
▸ GSTO1 P78417 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ NQO2 P16083 4/20 0.35
▸ MTNR1B P49286 4/20 0.35
▸ F13A1 P00488 2/20 0.35
▸ TGM1 P22735 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TGM3 Q08188 1/20 0.34
▸ TDP2 O95551 1/20 0.34

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
SCHEMBL26332962 0.94 TGM2 (0.38) TGM2MTNR1AEGFRKCNA5BRD4
SCHEMBL29370014 0.93 TGM2 (0.38) TGM2MTNR1AEGFRKCNA5BRD4
SCHEMBL28997061 0.89 TGM2 (0.44) TGM2MTNR1ABRD4ACKR3NQO2
SCHEMBL28997008 0.86 MTNR1A (0.39) TGM2MTNR1AGSTO1EGFRKCNA5
SCHEMBL28996998 0.83 MTNR1A (0.38) TGM2MTNR1AEGFRKCNA5BRD4
SCHEMBL28997012 0.79 MTNR1A (0.40) TGM2MTNR1AGSTO1EGFRKCNA5
SCHEMBL28996992 0.79 TGM2 (0.40) TGM2MTNR1AGSTO1BRD4F13A1
SCHEMBL26124919 0.79 TGM2 (0.40) TGM2MTNR1AGSTO1BRD4F13A1
SCHEMBL28997537 0.78 TGM2 (0.53) TGM2
SCHEMBL28996914 0.78 TGM2 (0.53) TGM2

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
CN-116057042-A Acrylamide-substituted indane compounds and their therapeutic uses 赛诺菲 2023-05-02 — — CN disclosed
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