SCHEMBL7687645

SCHEMBL7687645

Cc1nn(Cc2ccccc2)c2c1C(=O)CC(c1ccccc1Cl)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
CYP2D6 P10635 1/20 0.40
DPP4 P27487 1/20 0.39

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 0.90 SMN1; SMN2 (0.41) TP53RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL7687672 0.88 SMN1; SMN2 (0.40) TP53RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL7689473 0.86 SMN1; SMN2 (0.39) GAATP53RECQLMEN1KMT2A
Hydrochloric Acid SCHEMBL7680956 0.77 POLB (0.36) POLBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL7685489 0.76 SMN1; SMN2 (0.43) TP53RECQLSMN1; SMN2MAPTALDH1A1
SCHEMBL7683958 0.74 SMN1; SMN2 (0.42) TP53RECQLKMT2ASMN1; SMN2MAPT
SCHEMBL6163085 0.71 HDAC1 (0.68) TP53KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7683074 0.71 TSHR (0.46) TP53RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL7687676 0.70 SMN1; SMN2 (0.41) TP53RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL7683237 0.69 SMN1; SMN2 (0.48) TP53RECQLSMN1; SMN2MAPTALDH1A1

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