SCHEMBL28996911

SCHEMBL28996911

C=CC(=O)Nc1ccc2c(c1)CC[C@H]2Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.49
▸ KDR P35968 2/20 0.48
▸ TEK Q02763 1/20 0.48
▸ EPHB4 P54760 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ DCUN1D1 Q96GG9 2/20 0.44
▸ UBE2M P61081 1/20 0.44

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
SCHEMBL29369433 1.00 EGFR (0.49) EGFRKDRTEKEPHB4ALDH1A1
SCHEMBL30356990 1.00 EGFR (0.49) EGFRKDRTEKEPHB4ALDH1A1
SCHEMBL30357001 1.00 EGFR (0.49) EGFRKDRTEKEPHB4ALDH1A1
SCHEMBL26126243 1.00 EGFR (0.49) EGFRKDRTEKEPHB4ALDH1A1
SCHEMBL28996943 1.00 EGFR (0.49) EGFRKDRTEKEPHB4ALDH1A1
SCHEMBL25415602 0.93 EGFR (0.48) EGFRKDRTEKEPHB4ALDH1A1
SCHEMBL29370856 0.93 EGFR (0.48) EGFRKDRTEKEPHB4ALDH1A1
SCHEMBL28997013 0.90 TGM2 (0.56) EGFRKDRTEKEPHB4TGM2
SCHEMBL28996924 0.90 TGM2 (0.56) EGFRKDRTEKEPHB4TGM2
SCHEMBL25414485 0.90 TGM2 (0.56) EGFRKDRTEKEPHB4TGM2

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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