SCHEMBL9677472

SCHEMBL9677472

Cc1cc(NN)nc(O)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.41
▸ PKM P14618 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL2722102 0.77 PDE4A (0.46) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL11839050 0.76 CYP1A2 (0.56) GAAPKMMAPTKMT2AKDM4E
SCHEMBL891790 0.75 — —
SCHEMBL21062839 0.74 GAA (0.46) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL9679525 0.74 GAA (0.41) GAAPKMALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL2845698 0.73 POLB (0.46) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL6299860 0.73 NOS3 (0.64) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL21539005 0.71 GAA (0.46) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL9538339 0.71 KMT2A (0.62) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL28114191 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 — — EP disclosed
US-5064953-A INTERMEDIATES CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-11-12 — — US disclosed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 — — US disclosed
EP-0150507-A2 Cephalosporin derivatives, processes for producing the same and compositions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 — — EP disclosed
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