SCHEMBL8860574

SCHEMBL8860574

CC(C)(C)OC(=O)C1CSC(c2ccccc2F)N1C(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.40
▸ MAPT P10636 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ FFAR2 O15552 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL8860377 1.00 ACE (0.40) ACEMAPTBRD4MEN1KMT2A
SCHEMBL8860452 0.86 SIGMAR1 (0.39) ACEMAPTMEN1KMT2AALDH1A1
SCHEMBL8860462 0.86 SIGMAR1 (0.39) ACEMAPTMEN1KMT2AALDH1A1
SCHEMBL8870553 0.83 ACE (0.56) ACEALDH1A1POLBFFAR2LMNA
SCHEMBL8860652 0.83 ACE (0.56) ACEALDH1A1POLBFFAR2LMNA
SCHEMBL8871032 0.78 ACE (0.46) ACEFFAR2LMNAHTT
SCHEMBL8870841 0.77 CASR (0.36) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL8870833 0.77 CASR (0.36) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL7576506 0.75 USP30 (0.36) ACEMAPTCYP1A2CYP2C19TSHR
SCHEMBL8144727 0.75 USP30 (0.36) ACEMAPTCYP1A2CYP2C19TSHR

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-5637602-A NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-06-10 — — US disclosed
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