SCHEMBL9374155

SCHEMBL9374155

CCOC(=O)Cc1nn(CC#N)c(=O)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.76
▸ ALDH1A1 P00352 3/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ MAPK1 P28482 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ GAA P10253 2/20 0.55
▸ AKT1 P31749 1/20 0.55
▸ CNKSR1 Q969H4 1/20 0.55
▸ MAPT P10636 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ SLC6A4 P31645 7/20 0.50
▸ HTR2A P28223 3/20 0.50

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
SCHEMBL5014224 0.85 RECQL (0.83) RECQLALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL5009469 0.84 RECQL (0.81) RECQLALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL9197789 0.84 RECQL (0.81) RECQLALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL8128443 0.82 MAPT (0.68) KMT2AMAPT
SCHEMBL15597475 0.80 SMN1; SMN2 (1.00) RECQLALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL13720543 0.79 SMN1; SMN2 (0.74) RECQLALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL9200706 0.77 AKR1B1 (0.73) RECQLALDH1A1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL27505080 0.77 RECQL (0.44) RECQLALDH1A1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL24076900 0.76 CYP1A2 (0.77) RECQLALDH1A1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL5060770 0.76 RECQL (0.67) RECQLALDH1A1SMN1; SMN2MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397350-B1 Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER (US) 1994-04-06 — — EP disclosed
EP-0295051-B1 PREPARATION OF OXOPHTHALAZINYL ACETIC ACIDS HAVING BENZOTHIAZOLE OR OTHER HETEROCYCLIC SIDE CHAINS PFIZER INC. (US) 1993-06-09 — — EP disclosed
US-5182391-A Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1993-01-26 — — US disclosed
US-5171862-A Process and indazole intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1992-12-15 — — US disclosed
US-5075442-A Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1991-12-24 — — US disclosed
EP-0397350-A1 Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1990-11-14 — — EP disclosed
US-4954629-A Process and intermediates for the preparation of oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1990-09-04 — — US disclosed
US-4900844-A Intermediates for the preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1990-02-13 — — US disclosed
US-4868301-A Processes and intermediates for the preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1989-09-19 — — US disclosed
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 — — EP disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 — — EP disclosed
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