SCHEMBL20084652

SCHEMBL20084652

CC(=O)Nc1cc(C)c(/C=C(\NS(=O)(=O)c2ccc(C)cc2)C(=O)C(C#N)CN(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL21970598 0.71 NOD1 (0.38) LMNATSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21970727 0.58 NOD1 (0.43) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL5931251 0.58 SMN1; SMN2 (0.69) LMNATSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL3235436 0.58 EGFR (0.55) LMNATSHRALDH1A1L3MBTL1KMT2A
SCHEMBL6468156 0.58 ALDH1A1 (0.69) LMNATSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL28405273 0.57 EGFR (0.60) LMNATSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL8545310 0.57 EGFR (0.60) LMNATSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL26981518 0.57 HDAC1 (0.49) LMNAALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL28687948 0.57 SMN1; SMN2 (0.67) LMNATSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL6034081 0.57 CA1 (0.74) CA1CA2CA9IDO1

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
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
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