SCHEMBL7689656

SCHEMBL7689656

O=C1CC(c2ccccc2Cl)Cc2[nH]ccc(=O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.43
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
ADRA1A P35348 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
XBP1 P17861 1/20 0.41
PIM1 P11309 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ERBB2 P04626 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL7678959 0.80 SMN1; SMN2 (0.49) TP53RECQLSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7678831 0.75 TP53 (0.36) TP53RECQL
SCHEMBL7683237 0.73 SMN1; SMN2 (0.48) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7688025 0.72 SMN1; SMN2 (0.53) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7682873 0.71 HCAR2 (0.50) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7689472 0.70 LMNA (0.47) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL427764 0.69 TP53 (0.85) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL16217087 0.69 LMNA (0.69) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7682652 0.69 HCAR2 (0.42) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL31356800 0.69 CLK4 (0.83) TP53RECQLSMN1; SMN2ALDH1A1LMNA

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