SCHEMBL6797519

SCHEMBL6797519

Cc1ccnc2c1C(=O)CC(c1ccccc1Cl)C2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7685504 0.90 MAP1LC3B (0.43)
SCHEMBL7683162 0.88 HSP90AA1 (0.42)
SCHEMBL7688048 0.88 TP53 (0.50) TP53SMN1; SMN2MAPTRECQLUSP2
SCHEMBL7683993 0.85 MAP1LC3B (0.40)
SCHEMBL7687703 0.85
SCHEMBL7685259 0.85 MAP1LC3B (0.43)
SCHEMBL7682930 0.84 MAPT (0.44) MAPT
SCHEMBL7680811 0.84
SCHEMBL7689633 0.84 MAP1LC3B (0.51)
Hydrochloric Acid SCHEMBL7678966 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706732-B1 PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed