SCHEMBL9447019

SCHEMBL9447019

Nc1ccc(Oc2cccc3cccnc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
APAF1 O14727 1/20 0.53
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 2/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL546185 0.84 RAB9A (0.68) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL9446981 0.84 KDM4E (0.54) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL6222129 0.83 KDM4E (0.57) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL8203474 0.83 KDM4E (0.57) KDM4EMEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL9052059 0.83 RAB9A (0.66) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL4386263 0.82 KDM4E (0.72) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL9446953 0.80 MAPT (0.49) KDM4EMEN1KMT2AAPAF1MAPT
SCHEMBL8032408 0.80 KDM4E (0.53) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL8249487 0.80 MEN1 (0.58) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL23147570 0.79 MEN1 (0.51) KDM4EMEN1KMT2AAPAF1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed