SCHEMBL11814720

SCHEMBL11814720

NC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SRD5A2 P31213 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL7678834 0.86 HPGD (0.48) KMT2ASMN1; SMN2HTTSRD5A2MAPK1
SCHEMBL11813331 0.82 CA1 (0.49) KMT2AMAPK1HPGDMAPTALDH1A1
SCHEMBL11815696 0.82 MMP1 (0.43) KMT2ASMN1; SMN2HTTSRD5A2MAPK1
SCHEMBL11810726 0.81 HPGD (0.47) KMT2ASRD5A2MAPK1HPGDMAPT
SCHEMBL7678669 0.77 NPC1 (0.41) KMT2ASMN1; SMN2HTTSRD5A2MAPK1
SCHEMBL9792211 0.74 SRD5A2 (0.50) KMT2ASMN1; SMN2HTTSRD5A2MAPK1
SCHEMBL10939169 0.73 SRD5A2 (0.59) KMT2ASMN1; SMN2HTTSRD5A2MAPK1
SCHEMBL9792285 0.71 KMT2A (0.48) KMT2ASMN1; SMN2HTTSRD5A2MAPK1
SCHEMBL7678571 0.70 SRD5A2 (0.46) KMT2ASRD5A2HPGDALDH1A1L3MBTL1
SCHEMBL7674517 0.70 LTA4H (0.43) SRD5A2HPGDALDH1A1RAB9ANPC1

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-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 — — US disclosed
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