SCHEMBL4368104

SCHEMBL4368104

COc1ccc2c(c1OC)C(=O)N(C(C)c1ccccc1)C2=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
HSD17B10 Q99714 2/20 0.66
ALDH1A1 P00352 5/20 0.63
POLB P06746 1/20 0.63
UTS2R Q9UKP6 6/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 1/20 0.44
ALPL P05186 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
DUSP3 P51452 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9624832 0.78 KDM4E (0.65) KDM4EHSD17B10ALDH1A1POLBRAB9A
SCHEMBL9624782 0.78 KDM4E (0.65) KDM4EHSD17B10ALDH1A1POLBRAB9A
SCHEMBL3782828 0.77 ALDH1A1 (1.00) KDM4EHSD17B10ALDH1A1POLBRAB9A
SCHEMBL9624324 0.76 KDM4E (0.62) KDM4EHSD17B10ALDH1A1POLBRAB9A
SCHEMBL13878053 0.74 ALDH1A1 (0.46) KDM4EALDH1A1POLBKMT2AMAPK1
SCHEMBL6925572 0.74 LMNA (0.58) ALDH1A1POLBTDP1
SCHEMBL607042 0.74 LMNA (0.58) ALDH1A1POLBTDP1
SCHEMBL29393294 0.74 LMNA (0.58) ALDH1A1POLBTDP1
SCHEMBL4566402 0.73 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1POLBUTS2R
SCHEMBL4862641 0.71 TNF (0.64) UTS2RSMN1; SMN2MAPT

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