SCHEMBL7683172

SCHEMBL7683172

Cc1cn(S(C)(=O)=O)c2c1C(=O)CC(c1ccccc1Cl)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
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
MAPK1 P28482 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
XBP1 P17861 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
KMT2A Q03164 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
SCHEMBL7689336 0.89 HPGD (0.43) SMN1; SMN2ALDH1A1LMNAHTTUSP2
SCHEMBL7689197 0.86 MAP1LC3B (0.36) SMN1; SMN2ALDH1A1HPGDMAP1LC3BKMT2A
SCHEMBL7686746 0.83 LMNA (0.43) SMN1; SMN2ALDH1A1LMNAHTTPKM
SCHEMBL7681186 0.69 TP53 (0.48) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7689638 0.69 TP53 (0.48) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7678959 0.69 SMN1; SMN2 (0.49) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7687667 0.68 CSNK2A2 (0.44) ALDH1A1LMNAHTTPKMMAPK1
SCHEMBL6797519 0.68 TP53 (0.47) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7683237 0.68 SMN1; SMN2 (0.48) TP53RECQLSMN1; SMN2ALDH1A1LMNA
SCHEMBL7687645 0.68 POLB (0.41) 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