SCHEMBL1015022

SCHEMBL1015022

O=C(O)c1cc[n+]([O-])cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.39
AKR1C3 P42330 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
HMGB1 P09429 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1015021 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL8847188 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL14738587 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL3659496 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL8546431 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL2021797 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL31132874 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL4881052 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL21979547 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX15CYP1A2
SCHEMBL7278987 0.77 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-2271346-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO disclosed
CN-1042899-C Catalyst compositions and Catalytic processes PHILLIPS PETROLEUM CO (US) 1999-04-14 CN disclosed
EP-0603557-B1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM CO (US) 1997-07-30 EP disclosed
US-5461126-A Process of polymerizing olefins using organonickel catalyst compositions PHILLIPS PETROLEUM COMPANY (US) 1995-10-24 US disclosed
CN-1091999-A Carbon monoxide-olefin polymeric and Catalytic processes PHILLIPS PETROLEUM CO (US) 1994-09-14 CN disclosed
US-5332708-A Ethylene polymerization catalyst, organonickel compound and a heterocyclic nitrogen compound PHILLIPS PETROLEUM COMPANY (US) 1994-07-26 US disclosed
EP-0603557-A1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM COMPANY (US) 1994-06-29 EP disclosed