SCHEMBL30785987

SCHEMBL30785987

COCOc1ccc(Cl)nc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CLCN2 P51788 1/20 0.36
▸ S1PR4 O95977 3/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL22230729 1.00 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ACLCN2
SCHEMBL29957113 0.81 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AS1PR4
SCHEMBL15401450 0.81 MAPT (0.33) ALDH1A1MAPTS1PR4FDPSHDAC3
SCHEMBL28555443 0.75 S1PR4 (0.41) ALDH1A1CLCN2S1PR4BACE1XDH
SCHEMBL2370651 0.75 CLCN2 (0.35) CLCN2S1PR4XDH
SCHEMBL8755437 0.74 S1PR4 (0.57) ALDH1A1MEN1MAPTKMT2ACLCN2
SCHEMBL24323463 0.73 NFE2L2 (0.40) ALDH1A1
SCHEMBL29601108 0.73 NFE2L2 (0.40) ALDH1A1
SCHEMBL22230675 0.71 AAK1 (0.39) CLCN2
SCHEMBL30786001 0.71 AAK1 (0.39) CLCN2

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
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 — — CN disclosed
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