SCHEMBL9529817

SCHEMBL9529817

CC(C(=O)O)c1nn(CO)c(=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALOX15 P16050 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL9216124 0.76 AKR1B1 (0.66) MAPTMEN1KMT2ANPSR1
SCHEMBL13721336 0.69 KDM4E (0.49) SMN1; SMN2POLBLMNAKDM4EMEN1
SCHEMBL9374161 0.69 ALOX15 (0.43) SMN1; SMN2LMNAALOX15KDM4EMAPT
SCHEMBL9529811 0.68 RECQL (0.62) SMN1; SMN2POLBLMNAALOX15MAPT
SCHEMBL13721278 0.67 POLB (1.00) SMN1; SMN2POLBLMNAKDM4EHTT
SCHEMBL5014224 0.66 RECQL (0.83) SMN1; SMN2LMNAALOX15MAPT
SCHEMBL13720606 0.66 LMNA (0.74) SMN1; SMN2LMNAKDM4EMAPTCYP2D6
SCHEMBL23914949 0.65 MAPT (0.67) POLBALOX15MAPTKMT2A
SCHEMBL6885992 0.65 LMNA (0.77) SMN1; SMN2POLBLMNAALOX15HTT
SCHEMBL24093933 0.64 HSD17B10 (0.58) SMN1; SMN2LMNAALOX15KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295051-B1 PREPARATION OF OXOPHTHALAZINYL ACETIC ACIDS HAVING BENZOTHIAZOLE OR OTHER HETEROCYCLIC SIDE CHAINS PFIZER INC. (US) 1993-06-09 — — EP 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
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