SCHEMBL7687672

SCHEMBL7687672

Cc1nn(CCCc2ccccc2)c2c1C(=O)CC(c1ccccc1Cl)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7683569 0.94 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL7687645 0.88 POLB (0.41) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL7683958 0.84 SMN1; SMN2 (0.42) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL7689473 0.81 SMN1; SMN2 (0.39) SMN1; SMN2TP53MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7687303 0.79 NPC1 (0.32) SMN1; SMN2NPC1RAB9A
SCHEMBL7685489 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TP53MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7689722 0.72 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL7683074 0.67 TSHR (0.46) SMN1; SMN2TP53MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7680956 0.67 POLB (0.36) SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL7680944 0.67 POLB (0.36) SMN1; SMN2KMT2AMEN1

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