SCHEMBL30786304

SCHEMBL30786304

COc1ccc(-c2ccccc2-c2nn[nH]n2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
XDH P47989 3/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.56
PKM P14618 1/20 0.56
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.48
GP6 Q9HCN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL30786295 0.88 XDH (0.59) ALDH1A1XDHMEN1KMT2AL3MBTL1
SCHEMBL13113066 0.86 ALDH1A1 (1.00) ALDH1A1XDHKDM4EPKMHPGD
SCHEMBL30786297 0.82 ALDH1A1 (0.64) ALDH1A1XDHMEN1KMT2AL3MBTL1
SCHEMBL8171724 0.81 XDH (0.69) ALDH1A1XDHMEN1KMT2AL3MBTL1
SCHEMBL26926668 0.80 ALDH1A1 (0.61) ALDH1A1XDHMEN1KMT2AKDM4E
SCHEMBL30676032 0.80 ALDH1A1 (0.61) ALDH1A1XDHMEN1KMT2AKDM4E
SCHEMBL3396645 0.80 XDH (0.77) ALDH1A1XDHMEN1KMT2AL3MBTL1
SCHEMBL30452106 0.79 KDM4E (0.57) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL9182513 0.76 ALDH1A1 (0.56) ALDH1A1XDHMEN1KMT2AL3MBTL1
SCHEMBL21880473 0.76 ALDH1A1 (0.79) ALDH1A1XDHKDM4EPKMHPGD

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-2023237015-A1 N-TETRAZOLYL ARYL UREA DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF 杭州壹瑞医药科技有限公司 2023-12-14 WO disclosed