SCHEMBL4220045

SCHEMBL4220045

O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(Cl)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 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
SCHEMBL4372311 0.90 PIK3CA (0.48) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4371112 0.88 APAF1 (0.50) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4370400 0.88 HDAC4 (0.42) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4364085 0.85 HDAC4 (0.40) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4225056 0.84 MEN1 (0.40) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4374700 0.84 CASP3 (0.52) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4230363 0.82 HDAC4 (0.40) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4561874 0.82 HDAC4 (0.42) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL4224823 0.82 MEN1 (0.36) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL4366780 0.80 CA12 (0.43) MEN1HTTKMT2AMAPTALDH1A1

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 2 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