SCHEMBL30408680

SCHEMBL30408680

Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1NCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 2/20 0.53
EPHX2 P34913 6/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
F10 P00742 2/20 0.47
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL27677639 0.78 CSNK2A1 (0.50) MAPTPOLBALDH1A1NPSR1KMT2A
SCHEMBL30409659 0.77 EPHX2 (0.61) EPHX2MAPTPOLBLMNAALDH1A1
SCHEMBL30409232 0.77 EPHX2 (0.71) EPHX2HDAC1HDAC8HDAC6CA12
Hydrochloric Acid SCHEMBL5067692 0.77 CSNK2A1 (0.49) MAPTPOLBALDH1A1NPSR1KMT2A
Hydrochloric Acid SCHEMBL5065548 0.77 CSNK2A1 (0.49) MAPTPOLBALDH1A1NPSR1KMT2A
SCHEMBL1725459 0.75 TOP2B (0.53) TOP2BHDAC1MAPTLMNAALDH1A1
SCHEMBL30409629 0.72 HDAC1 (0.58) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL1726083 0.72 MAPT (0.62) TOP2BMAPTPOLBLMNAALDH1A1
SCHEMBL5068037 0.72 BRD4 (0.40) TOP2BMAPTPOLBLMNAALDH1A1
SCHEMBL1923881 0.71 HDAC8 (0.63) TOP2BHDAC1HDAC8HDAC6MAPT

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
CN-116102525-B Benzamide derivatives and uses thereof 沈阳药科大学 2024-11-12 CN disclosed
CN-116102525-A Benzamide derivatives and uses thereof 沈阳药科大学 2023-05-12 CN disclosed