SCHEMBL7687441

SCHEMBL7687441

CCc1cnnc2c1C(=O)CC(c1ccccc1Cl)C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
XBP1 P17861 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7689231 0.85 HPGD (0.47) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7690336 0.81 HPGD (0.46) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7690036 0.80 HPGD (0.43) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7689246 0.79 HPGD (0.44) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7689778 0.74
SCHEMBL7688048 0.71 TP53 (0.50) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7682788 0.71 HSP90AA1 (0.51) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL6797519 0.71 TP53 (0.47) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7685133 0.71 TP53 (0.47) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7689472 0.71 LMNA (0.47) HPGDTSHRTP53RECQLSMN1; SMN2

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