SCHEMBL21863298

SCHEMBL21863298

COc1cccc(C(=O)O)c1N(N)/C=C\N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ TLR6 Q9Y2C9 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL20976791 0.81 MYC (0.46) HTTCA12CA1CA2CA9
SCHEMBL20976770 0.73 ALDH1A1 (0.45) CA12CA1CA2CA9CA7
SCHEMBL12427635 0.73 HTT (0.50) HTTCA12CA1CA2CA9
SCHEMBL148830 0.70 G6PD (0.60) HTTCA12CA1CA2CA9
SCHEMBL30852229 0.70 G6PD (0.60) HTTCA12CA1CA2CA9
SCHEMBL20976773 0.70 WDR5 (0.50) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6923818 0.69 KDM4E (0.50) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20976794 0.69 MAPT (0.42) HTTCA12CA1CA2CA9
SCHEMBL29365231 0.69 HTT (0.78) HTTCA12CA1CA2CA9
SCHEMBL3527 0.69 HTT (0.78) HTTCA12CA1CA2CA9

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
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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