SCHEMBL31430675

SCHEMBL31430675

COc1c(O)cc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.55
PKM P14618 2/20 0.51
DRD2 P14416 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
AKR1B1 P15121 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL28891451 0.87 DRD2 (0.49) TPMTPKMDRD2CA1CA2
SCHEMBL4582721 0.86 ALDH1A1 (0.51) TPMTPKMDRD2CA1CA2
SCHEMBL10757843 0.84 PKM (0.63) TPMTPKMCTSVCTSLALDH1A1
SCHEMBL591201 0.84 TPMT (0.55) TPMTPKMCA1CA2CTSV
SCHEMBL7053647 0.84 PKM (0.51) TPMTPKMCTSVCTSLALDH1A1
SCHEMBL591202 0.84 TPMT (0.55) TPMTPKMCA1CA2CTSV
SCHEMBL8659829 0.79 PKM (0.47) TPMTPKMCTSVCTSLALDH1A1
SCHEMBL11730155 0.79 PKM (0.47) TPMTPKMCTSVCTSLALDH1A1
SCHEMBL23499773 0.78 ALDH1A1 (0.51) TPMTDRD2CA1CA2ALDH1A1
SCHEMBL8680266 0.78 TPMT (0.64) TPMTCA1CA2ALDH1A1MAPT

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-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 WO disclosed