SCHEMBL10932629

SCHEMBL10932629

O=C(S)c1ccc(Cc2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 5/20 0.46
▸ LMNA P02545 2/20 0.44
▸ PLA2G10 O15496 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ TBXAS1 P24557 6/20 0.43
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL6434986 0.86 P4HTM (0.62) P4HTMLMNAPLA2G10PLA2G2AHIF1A
Hydrochloric Acid SCHEMBL11633575 0.84 P4HTM (0.61) P4HTMLMNAPLA2G10PLA2G2ATBXAS1
SCHEMBL5037300 0.83 PLA2G10 (0.58) P4HTMLMNAPLA2G10PLA2G2ATBXAS1
SCHEMBL11005582 0.80 HIF1A (0.47) P4HTMLMNAPLA2G10PLA2G2AHIF1A
SCHEMBL11630275 0.79 MAPK1 (0.54) P4HTMLMNAKDM4EPKML3MBTL1
SCHEMBL10932632 0.79 CALM1 (0.44) P4HTMLMNAPLA2G10PLA2G2ATBXAS1
SCHEMBL11633297 0.78 MMP13 (0.59) HIF1AALDH1A1CYP1A2KMT2AL3MBTL1
SCHEMBL11629400 0.76 PARP1 (0.54) LMNAHIF1AKDM4EMEN1ALDH1A1
SCHEMBL11630338 0.76 GABRA1 (0.52) LMNAKDM4EALDH1A1CYP1A2MAPT
Hydrochloric Acid SCHEMBL11631612 0.75 GABRA1 (0.51) LMNAKDM4EALDH1A1CYP1A2MAPT

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-0066242-B1 TOCOPHERYL ESTER OF 5-SUBSTITUTED PICOLINIC ACID, PROCESS FOR ITS PRODUCTION, AND PHARMACEUTICAL COMPOSITION CONTAINING IT BANYU PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 — — EP claimed
US-4443459-A α-Tocopheryl ester of 5-substituted picolinic acid and hypotensive composition containing it BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-04-17 — — US claimed
Send feedback