SCHEMBL7682928

SCHEMBL7682928

Cc1c[n+]([O-])nc2c1C(=O)CC(c1ccccc1Cl)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
XBP1 P17861 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38

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
SCHEMBL6797519 0.78 TP53 (0.47) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7690465 0.77 TP53 (0.46) TP53RECQLMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7689231 0.77 HPGD (0.47) TP53RECQLMAPK1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7689187 0.76
SCHEMBL7685857 0.74 TP53 (0.46) TP53RECQLMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7686894 0.73 MAPK1 (0.46) TP53RECQLMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7682788 0.73 HSP90AA1 (0.51) TP53RECQLMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7685133 0.73 TP53 (0.47) TP53RECQLMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7688048 0.70 TP53 (0.50) TP53RECQLMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7683074 0.70 TSHR (0.46) TP53RECQLMAPK1SMN1; SMN2ALDH1A1

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
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