SCHEMBL7683074

SCHEMBL7683074

Cc1c2c(nn1-c1ccccc1)CC(c1ccccc1Cl)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
AADAT Q8N5Z0 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
XBP1 P17861 1/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 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
SCHEMBL7685489 0.78 SMN1; SMN2 (0.43) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7687676 0.78 SMN1; SMN2 (0.41) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7683958 0.77 SMN1; SMN2 (0.42) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7679104 0.77 AADAT (0.35) AADAT
SCHEMBL6797519 0.73 TP53 (0.47) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7685133 0.73 TP53 (0.47) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7682788 0.73 HSP90AA1 (0.51) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7689231 0.72 HPGD (0.47) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7690465 0.72 TP53 (0.46) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL7688048 0.71 TP53 (0.50) TSHRHPGDSMN1; 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