SCHEMBL9575840

SCHEMBL9575840

CN(C)C(=S)Oc1ccccc1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
KMT2A Q03164 1/20 0.40
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NSD2 O96028 1/20 0.37
STS P08842 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL9575709 0.86 ELANE (0.41) ELANEKDM4EHSD17B10SMN1; SMN2
SCHEMBL9575901 0.85 NCEH1 (0.40) ELANEKMT2ACYP11B1CYP11B2KDM4E
SCHEMBL6392908 0.85 ELANE (0.59) ELANEALDH1A1KDM4EESR1ITGB3
SCHEMBL9575885 0.82 ELANE (0.43) ELANEKMT2AALDH1A1KDM4EESR1
SCHEMBL9575851 0.80 PTGDR2 (0.43) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9797871 0.80 ALDH1A1 (0.47) ELANECYP11B1CYP11B2ALDH1A1RAB9A
SCHEMBL9575646 0.79 STS (0.56) KMT2AL3MBTL1ALDH1A1STSKDM4E
SCHEMBL9797799 0.77 ELANE (0.40) ELANEKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL16387188 0.74 KMT2A (0.50) ELANEKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL10496217 0.74 KDM4E (0.61) KMT2AALDH1A1KDM4EESR1ITGB3

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
EP-0367671-B1 NOVEL BETA-D-PHENYLTHIOXYLOSIDES, THEIR METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS FOURNIER INDUSTRIE ET SANTE (FR) 1993-07-28 EP disclosed
US-4960758-A Antithrombotics FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-02 US disclosed