SCHEMBL25394607

SCHEMBL25394607

O=c1[nH]c(=O)c2cc[c]cc2o1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OGT O15294 1/20 0.37
▸ MCL1 Q07820 1/20 0.35
▸ NOS1 P29475 4/20 0.34
▸ NOS3 P29474 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ CFD P00746 1/20 0.32
▸ KMO O15229 1/20 0.32

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
SCHEMBL352131 0.77 OGT (0.53) OGTMCL1NOS1NOS3NOS2
SCHEMBL221702 0.73 OGT (0.53) OGTMCL1NOS1NOS3NOS2
SCHEMBL1461411 0.73 KDM4E (0.33) LMNA
Carsalam SCHEMBL26521 0.72 OGT (0.57) OGTMCL1LMNACYP1A2BLM
Carsalam SCHEMBL2332292 0.71 OGT (0.55) OGTMCL1LMNACYP1A2BLM
Carsalam SCHEMBL5149682 0.71 OGT (0.55) OGTMCL1LMNACYP1A2BLM
SCHEMBL467966 0.68 HSD17B3 (0.49) CYP1A2
SCHEMBL694630 0.67 MAOA (0.67) LMNA
SCHEMBL2289312 0.67 NOS1 (0.62) NOS1NOS3NOS2LMNA
SCHEMBL1071182 0.67 DAO (0.58) MCL1NOS1NOS3NOS2LMNA

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-2023173053-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2023-09-14 — — WO disclosed
Send feedback