SCHEMBL7439355

SCHEMBL7439355

CS(=O)(=O)c1ccc2c(c1)OCC(C(O)CNC1CCN(CC(=O)Nc3cc(F)cc(F)c3)CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
KCNT1 Q5JUK3 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL10993277 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7437941 0.87 TSHR (0.43) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7429340 0.87 POLB (0.49) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL7439350 0.82 USP9X (0.33) CYP2D6POLB
SCHEMBL7434360 0.80 POLB (0.59) ALDH1A1KMT2AL3MBTL1TSHRGAA
SCHEMBL7436573 0.79 HTT (0.47) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL7495736 0.79 TSHR (0.49) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7432822 0.79 CA1 (0.49) ALDH1A1POLBLMNAHTTSMN1; SMN2
SCHEMBL7441217 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL7436242 0.78 LMNA (0.46) ALDH1A1KMT2AMEN1L3MBTL1TSHR

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed