SCHEMBL11461065

SCHEMBL11461065

CC(=O)N(C)n1cc(-c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ HTR6 P50406 2/20 0.43
▸ PTGER1 P34995 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ CPT2 P23786 1/20 0.40
▸ CPT1A P50416 1/20 0.40
▸ CPT1B Q92523 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ F2RL3 Q96RI0 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ ASH1L Q9NR48 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ BAZ2A Q9UIF9 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
SCHEMBL11401724 0.84 KMT2A (0.44) HTTL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL11464649 0.80 HTR6 (0.46) HTTHTR6PTGER1HSD17B10L3MBTL1
SCHEMBL8481500 0.74 HTT (0.75) HTTHTR6PTGER1HSD17B10BRD4
Binedaline SCHEMBL49440 0.73 L3MBTL1 (0.42) HTR6HSD17B10L3MBTL1BRD4MEN1
Binedaline SCHEMBL29393236 0.73 L3MBTL1 (0.42) HTR6HSD17B10L3MBTL1BRD4MEN1
Binedaline SCHEMBL5957158 0.72 L3MBTL1 (0.41) HTTHTR6HSD17B10L3MBTL1BRD4
SCHEMBL10973389 0.71 HTR6 (0.48) HTTHTR6PTGER1HSD17B10L3MBTL1
SCHEMBL11452382 0.71 L3MBTL1 (0.40) HTR6L3MBTL1
SCHEMBL7582044 0.70 HTT (0.56) HTTHTR6PTGER1HSD17B10L3MBTL1
SCHEMBL11452293 0.70 L3MBTL1 (0.39) HTR6HSD17B10L3MBTL1BRD4POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4204998-A N-Amino indole derivatives having pharmacological activity SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-05-27 — — US disclosed
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