SCHEMBL7690336

SCHEMBL7690336

O=C1CC(c2ccccc2Cl)Cc2nncc(-c3ccccc3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

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
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
XBP1 P17861 1/20 0.40
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL7689246 0.93 HPGD (0.44) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7689231 0.82 HPGD (0.47) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7687441 0.81 HPGD (0.46) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7690036 0.80 HPGD (0.43) HPGDTSHRTP53RECQLSMN1; SMN2
SCHEMBL7689760 0.74
SCHEMBL7689763 0.74
SCHEMBL7682873 0.72 HCAR2 (0.50) HPGDTP53RECQLSMN1; SMN2ALDH1A1
SCHEMBL7688048 0.71 TP53 (0.50) HPGDTSHRTP53RECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL7690077 0.69
Hydrochloric Acid SCHEMBL7690079 0.69

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