SCHEMBL18230747

SCHEMBL18230747

NC(=O)c1cnc(C(N)=O)cn1.O=C(O)CCc1cccnc1.O=C(O)CCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 12/20 0.61
▸ P4HTM Q9NXG6 1/20 0.55
▸ NAPRT Q6XQN6 1/20 0.51
▸ FFAR1 O14842 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RECQL P46063 1/20 0.47
▸ CHRNA7 P36544 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL333061 0.86 TBXAS1 (0.78) TBXAS1NAPRTFFAR1CYP1A2CYP3A4
SCHEMBL29403620 0.86 TBXAS1 (0.78) TBXAS1NAPRTFFAR1CYP1A2CYP3A4
SCHEMBL27446829 0.85 TBXAS1 (0.76) TBXAS1NAPRTFFAR1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL305976 0.85 TBXAS1 (0.79) TBXAS1NAPRTFFAR1CYP1A2CYP3A4
SCHEMBL18230749 0.82 ALDH1A1 (0.46) TBXAS1RECQLKDM4EALDH1A1LMNA
P-Xylene SCHEMBL6281558 0.79 TBXAS1 (0.68) TBXAS1NAPRTFFAR1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL27502761 0.79 TBXAS1 (0.68) TBXAS1NAPRTFFAR1CYP1A2CYP3A4
SCHEMBL83186 0.78 RECQL (0.62) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
O-Xylene SCHEMBL6281561 0.78 TBXAS1 (0.66) TBXAS1NAPRTFFAR1CYP1A2CYP3A4
SCHEMBL30861827 0.77 TBXAS1 (0.57) TBXAS1NAPRTFFAR1CYP1A2CYP3A4

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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