SCHEMBL7690465

SCHEMBL7690465

Cc1cc(C)c2c(n1)CC(c1ccccc1Cl)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
XBP1 P17861 1/20 0.42
MAPT P10636 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL7689751 0.88 HPGD (0.51) HPGDTSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7689622 0.85 HSP90AA1 (0.41) HPGDTSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7685559 0.81 HSP90AA1 (0.61) HPGDTSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6797519 0.81 TP53 (0.47) TP53RECQLHPGDTSHRSMN1; SMN2
SCHEMBL7682788 0.81 HSP90AA1 (0.51) TP53RECQLHPGDTSHRMAPK1
SCHEMBL7689231 0.80 HPGD (0.47) TP53RECQLHPGDTSHRMAPK1
SCHEMBL6796888 0.77 ALPL (0.41) HPGDHSP90AA1HSP90AB1
SCHEMBL7689152 0.77 HSP90AA1 (0.41) HPGDTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL7682928 0.77 TP53 (0.43) TP53RECQLHPGDTSHRMAPK1
SCHEMBL27523046 0.76 TP53 (0.36) TP53RECQLHPGDTSHRMAPK1

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