SCHEMBL26686704

SCHEMBL26686704

O=C(O)C1=CN=Cc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.42
LMNA P02545 3/20 0.36
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ALOX5 P09917 2/20 0.31
P2RX4 Q99571 1/20 0.31
ALOX15 P16050 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DAO P14920 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL30616800 1.00 TRPA1 (0.42) TRPA1LMNACYP2C9MEN1POLB
SCHEMBL27540000 0.88 TRPA1 (0.43) TRPA1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7377318 0.86 TRPA1 (0.49) TRPA1LMNACYP2C9MEN1POLB
SCHEMBL27534345 0.81 TRPA1 (0.35) TRPA1
SCHEMBL28650154 0.77 TRPA1 (0.40) TRPA1LMNACA12CA9HSD17B10
SCHEMBL10499941 0.73 TRPA1 (0.40) TRPA1CA12CA9
SCHEMBL25341094 0.71 TRPA1 (0.39) TRPA1LMNACYP2C9MEN1KMT2A
SCHEMBL9935517 0.71 TRPA1 (0.47) TRPA1LMNAMEN1KMT2AMAPK1
SCHEMBL9933270 0.70 TRPA1 (0.43) TRPA1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL9934214 0.70 TRPA1 (0.43) TRPA1LMNAMAPK1MAPTSMN1; SMN2

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
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed