SCHEMBL7429346

SCHEMBL7429346

CC(=O)SCc1ccccc1CCC(=O)Nc1ccc(C(=O)O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
SELE P16581 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
LTB4R Q15722 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL7430649 0.91 SELL (0.56) SELLSELPSELEMEN1KMT2A
SCHEMBL7442252 0.87 SELP (0.47) SELLSELPSELEMAPK1MEN1
SCHEMBL7430609 0.86 NPC1 (0.46) SELLSELPSELEMEN1KMT2A
SCHEMBL7433940 0.84 LTB4R (0.62) MEN1KMT2AMAPTLTB4RPOLB
SCHEMBL7433695 0.84 SELL (0.48) SELLSELPSELEMAPK1MEN1
SCHEMBL7435487 0.82 HDAC3 (0.49) MAPTCYP1A2CYP2C9POLBALDH1A1
SCHEMBL7437982 0.82 POLB (0.44) SELPSELEMAPK1POLBALDH1A1
SCHEMBL7432797 0.82 SMN1; SMN2 (0.51) MEN1KMT2AMAPTCYP2C19CYP1A2
SCHEMBL7439374 0.81 KMT2A (0.44) MAPK1MEN1KMT2AMAPTTP53
SCHEMBL7439282 0.80 KMT2A (0.53) MEN1KMT2AMAPTCYP2C9ALDH1A1

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-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed