SCHEMBL9687654

SCHEMBL9687654

CC(=O)Nc1ccnc(COC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RORC P51449 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ TNNI3 P19429 1/20 0.41
▸ TNNT2 P45379 1/20 0.41
▸ TNNC1 P63316 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
SCHEMBL28152360 0.84 SREBF2 (0.44) PRKCIALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3402923 0.81 ALDH1A1 (0.44) PRKCITDP1ALDH1A1CYP1A2RAB9A
SCHEMBL3401753 0.81 PRKCI (0.47) PRKCITDP1ALDH1A1CYP1A2RAB9A
SCHEMBL23015823 0.81 PRKCI (0.61) PRKCITDP1ALDH1A1CYP1A2RAB9A
SCHEMBL7664017 0.81 PRKCI (0.47) PRKCITDP1ALDH1A1CYP1A2RAB9A
SCHEMBL11614989 0.80 PRKCI (0.49) PRKCITDP1ALDH1A1CYP1A2RAB9A
SCHEMBL14086531 0.80 ALDH1A1 (0.41) ALDH1A1CYP1A2RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL10889082 0.78 KMT2A (0.46) PRKCITDP1ALDH1A1CYP1A2RAB9A
SCHEMBL509101 0.78 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1477890 0.76 ALDH1A1 (0.43) ALDH1A1CYP1A2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313630-B1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) 1992-09-16 — — EP disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 — — US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 — — US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 — — EP disclosed
EP-0200777-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-11-12 — — EP disclosed
WO-1986002645-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 — — WO disclosed
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