SCHEMBL4366780

SCHEMBL4366780

O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 2/20 0.41
RECQL P46063 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL4369764 0.88 UBE2N (0.51) CA12CA1CA2CA9MEN1
SCHEMBL4225056 0.87 MEN1 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL4374700 0.87 CASP3 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL13952127 0.86 CA12 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL4370400 0.83 HDAC4 (0.42) CA12CA1CA2CA9MEN1
SCHEMBL13952392 0.81 KMT2A (0.61) CA12CA1CA2CA9MEN1
SCHEMBL4364085 0.80 HDAC4 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL4372311 0.80 PIK3CA (0.48) CA12CA1CA2CA9MEN1
SCHEMBL4230363 0.80 HDAC4 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL4220045 0.80 MEN1 (0.41) CA12CA1CA2CA9MEN1

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 disclosed