SCHEMBL18230752

SCHEMBL18230752

CCC(Cc1cccnc1)C(=O)O.CCC(Cc1cccnc1)C(=O)O.NC(=O)c1cnc(C(N)=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TBXAS1 P24557 3/20 0.45
▸ ANPEP P15144 2/20 0.45
▸ ERAP1 Q9NZ08 2/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ FDPS P14324 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GRM2 Q14416 2/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40

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
SCHEMBL30660224 0.88 PKM (0.60) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL2566762 0.88 PKM (0.60) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL7384333 0.82 CYP1A2 (0.62) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL2433129 0.81 PKM (0.58) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL11062758 0.79 TBXAS1 (0.71) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL9385322 0.77 TBXAS1 (0.56) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL5051173 0.75 PKM (0.49) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL21896075 0.75 TBXAS1 (0.56) PKMKMT2ATBXAS1ANPEPERAP1
SCHEMBL18230747 0.75 TBXAS1 (0.61) TBXAS1KDM4ECYP1A2NAPRTRECQL
SCHEMBL6900349 0.74 ANPEP (0.54) TBXAS1ANPEPERAP1ERAP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294296-A1 COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE Medibeacon Inc. (US) 2018-03-21 — — EP disclosed
WO-2016183351-A1 COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE MEDIBEACON INC. (US) 2016-11-17 — — WO disclosed
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