SCHEMBL18534153

SCHEMBL18534153

CCn1cc(P(=O)(O)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ PKM P14618 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ NAMPT P43490 1/20 0.33

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
SCHEMBL18179099 0.85 L3MBTL1 (0.53) MAPTLMNACYP2C19KMT2AL3MBTL1
SCHEMBL24627874 0.80 L3MBTL1 (0.41) L3MBTL1
SCHEMBL18534183 0.80 L3MBTL1 (0.41) L3MBTL1
SCHEMBL17933331 0.78 ACHE (0.38) TDP1ALDH1A1
SCHEMBL17933369 0.75 ACHE (0.36) L3MBTL1
SCHEMBL18183254 0.74 ALDH1A1 (0.37) LMNAHPGDL3MBTL1ALDH1A1
SCHEMBL17933364 0.73 GRIA1 (0.42) KMT2AKDM4E
SCHEMBL24627873 0.69 ACHE (0.46) MAPTLMNAKMT2AALDH1A1NPC1
SCHEMBL17459858 0.69 — —
SCHEMBL21165191 0.68 L3MBTL1 (0.37) LMNAL3MBTL1ALDH1A1

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
EP-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 — — EP disclosed
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