SCHEMBL9688082

SCHEMBL9688082

O=C(O)c1nc2cccc(O)c2nc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
PIM1 P11309 4/20 0.46
KDM4E B2RXH2 5/20 0.46
NQO2 P16083 1/20 0.46
CYP1A2 P05177 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL7968125 0.93 ACHE (0.59) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL42617 0.79 ALDH1A1 (0.75) ALDH1A1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL28063770 0.78 ACHE (0.77) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL3193693 0.76 ALDH1A1 (0.73) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL3181469 0.76 ACHE (1.00) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL30468172 0.75 ALDH1A1 (0.71) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL3724658 0.75 ALDH1A1 (0.71) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL13439504 0.74 ACHE (0.85) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL3721381 0.74 ACHE (0.62) ACHEALDH1A1KMT2ARAB9AMAPT
SCHEMBL3724948 0.72 ACHE (0.55) ACHEALDH1A1KMT2ARAB9AMAPT

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-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP claimed