SCHEMBL28997012

SCHEMBL28997012

C=CC(=O)Nc1ccc2c(c1)C(OCC(F)C(F)CCF)CC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.40
▸ TGM2 P21980 9/20 0.36
▸ CDK7 P50613 1/20 0.33
▸ CDK13 Q14004 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ KCNA5 P22460 2/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ F13A1 P00488 2/20 0.33
▸ TGM1 P22735 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TGM3 Q08188 1/20 0.33
▸ ACKR3 P25106 1/20 0.32
▸ GSTO1 P78417 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 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
SCHEMBL28997042 0.88 MTNR1A (0.40) MTNR1ATGM2CDK7CDK13EGFR
SCHEMBL28997074 0.84 MTNR1A (0.38) MTNR1ATGM2CDK7CDK13EGFR
SCHEMBL28997008 0.84 MTNR1A (0.39) MTNR1ATGM2EGFRKCNA5TDP2
SCHEMBL28996998 0.84 MTNR1A (0.38) MTNR1ATGM2CDK7CDK13EGFR
SCHEMBL28997061 0.81 TGM2 (0.44) MTNR1ATGM2TDP2F13A1TGM1
SCHEMBL28997062 0.80 TGM2 (0.39) MTNR1ATGM2CDK7CDK13EGFR
SCHEMBL28997071 0.79 TGM2 (0.40) MTNR1ATGM2EGFRKCNA5TDP2
SCHEMBL26332962 0.78 TGM2 (0.38) MTNR1ATGM2EGFRKCNA5F13A1
SCHEMBL29370014 0.77 TGM2 (0.38) MTNR1ATGM2EGFRKCNA5F13A1
SCHEMBL29367337 0.74 TGM2 (0.44) MTNR1ATGM2CDK7CDK13EGFR

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