SCHEMBL4370131

SCHEMBL4370131

O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ RECQL P46063 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RGS12 O14924 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL4371218 0.81 ALDH1A1 (0.45) MAPTMEN1KMT2ALMNACA12
SCHEMBL1337353 0.80 CA12 (0.57) MAPTRECQLMEN1KMT2AHTT
SCHEMBL4219591 0.79 MEN1 (0.39) MAPTRECQLMEN1KMT2ARGS12
SCHEMBL13952392 0.77 KMT2A (0.61) MAPTRECQLMEN1KMT2ARGS12
SCHEMBL4375195 0.77 MEN1 (0.40) MAPTRECQLMEN1KMT2ARGS12
SCHEMBL6099416 0.76 HTT (0.44) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4230450 0.76 CTRB1 (0.46) MAPTRECQLMEN1KMT2ARGS12
SCHEMBL14303171 0.76 RECQL (0.51) MAPTRECQLMEN1KMT2ARGS12
SCHEMBL4369528 0.75 GAA (0.54) MAPTRECQLMEN1KMT2ACA12
SCHEMBL13952097 0.74 PARP1 (0.40) CA12CETP

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
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
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 disclosed
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 disclosed
Send feedback