SCHEMBL6935588

SCHEMBL6935588

CCOc1nnc(Cl)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12986293 0.74 CA12 (0.32)
SCHEMBL581530 0.72 PDE10A (0.33)
SCHEMBL29417495 0.72 PDE10A (0.33)
SCHEMBL5001236 0.70 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL6934987 0.68 GLA (0.36) HTTGAAKDM4EALDH1A1
SCHEMBL6939703 0.68 MAPT (0.47) CYP1A2CYP2C9CYP2C19HTTMEN1
SCHEMBL24469500 0.68 AOC3 (0.34) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL14387900 0.68 ALDH1A1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL11509960 0.64 HPGD (0.44) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL6937570 0.64 ALDH1A1 (0.41) ALDH1A1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed
EP-1058681-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME Seoul Pharm. Co., Ltd. (KR) 2000-12-13 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed
WO-1999036407-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM. CO., LTD. (KR) 1999-07-22 WO disclosed