SCHEMBL9458485

SCHEMBL9458485

CCc1cc([O])c2cc(OC)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
HSD17B10 Q99714 6/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 1/20 0.46
PRNP P04156 1/20 0.46
HPGD P15428 7/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.45
PLA2G2A P14555 1/20 0.45
NPC1 O15118 1/20 0.43
DYRK3 O43781 1/20 0.43

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
SCHEMBL9458374 0.84 MAPT (0.43) KDM4EHSD17B10LMNAALDH1A1MEN1
SCHEMBL13214422 0.82 KDM4E (0.47) KDM4EHSD17B10LMNAALDH1A1MEN1
SCHEMBL9458139 0.81 APP (0.43) KDM4EHSD17B10LMNAALDH1A1MEN1
SCHEMBL29923763 0.81 KDM4E (0.46) KDM4EHSD17B10LMNAALDH1A1MEN1
SCHEMBL9680806 0.80 ALDH1A1 (0.40) KDM4EHSD17B10LMNAALDH1A1MEN1
SCHEMBL9458592 0.78 DHODH (0.43) KDM4EALDH1A1MEN1KMT2APRNP
SCHEMBL9458576 0.78 ESR1 (0.51) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9458597 0.78 KDM4E (0.44) KDM4EALDH1A1KMT2APOLBGAA
SCHEMBL9458599 0.75 ALDH1A1 (0.37) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL9458614 0.75 TYMS (0.39) KDM4EHSD17B10LMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245035-A HETEROCYCLIC BORON COMPOUNDS AS INTERMEDIATES FOR ANGIOTENSIN II ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-14 US claimed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP claimed
US-5245035-A HETEROCYCLIC BORON COMPOUNDS AS INTERMEDIATES FOR ANGIOTENSIN II ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-14 US disclosed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP disclosed