SCHEMBL4542670

SCHEMBL4542670

O=C(NNC(=O)c1cccc(O)c1O)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.54
▸ HTT P42858 6/20 0.54
▸ TLR7 Q9NYK1 6/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ OPRK1 P41145 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALPL P05186 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ GRM4 Q14833 1/20 0.48

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
SCHEMBL6451494 0.89 KDM4E (0.58) KDM4EHTTTLR7ALDH1A1SMN1; SMN2
SCHEMBL4563112 0.82 NPC1 (0.56) KDM4EHTTTLR7ALDH1A1SMN1; SMN2
SCHEMBL1147702 0.82 KDM4E (0.73) KDM4EHTTTLR7ALDH1A1SMN1; SMN2
SCHEMBL4229962 0.82 TERT (0.63) KDM4EHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4218154 0.80 CA1 (0.65) KDM4EHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4223765 0.80 TLR7 (0.60) KDM4ETLR7ALDH1A1L3MBTL1MAPT
SCHEMBL6450640 0.78 KDM4E (0.60) KDM4EHTTTLR7ALDH1A1SMN1; SMN2
SCHEMBL6449069 0.78 RAB9A (0.62) KDM4EHTTTLR7ALDH1A1SMN1; SMN2
SCHEMBL9725157 0.77 NPC1 (0.68) KDM4ESMN1; SMN2L3MBTL1NPC1PKM
SCHEMBL12894824 0.76 KDM4E (0.54) KDM4EHTTTLR7ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 — — WO claimed
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