SCHEMBL7685489

SCHEMBL7685489

Cc1c2c(nn1CCc1ccccc1)CC(c1ccccc1Cl)CC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
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 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.39
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
XBP1 P17861 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
LDHA P00338 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
SCHEMBL7683958 0.94 SMN1; SMN2 (0.42) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL7683569 0.84 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL7687676 0.82 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7689270 0.79
SCHEMBL7683074 0.78 TSHR (0.46) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL7687672 0.78 SMN1; SMN2 (0.40) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL7687645 0.76 POLB (0.41) SMN1; SMN2TP53MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7683089 0.74
SCHEMBL7682788 0.69 HSP90AA1 (0.51) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL6797519 0.69 TP53 (0.47) SMN1; SMN2TP53MAPTALDH1A1LMNA

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