SCHEMBL30746595

SCHEMBL30746595

CCc1c(Oc2ccc(Cl)cc2)cncc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.40
CCNC P24863 10/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
ICAM1 P05362 5/20 0.38
SELE P16581 5/20 0.38
PIM1 P11309 2/20 0.36
MAP4K2 Q12851 2/20 0.36
MAP2K2 P36507 1/20 0.36
VCAM1 P19320 4/20 0.35
UCHL1 P09936 1/20 0.35
LIPE Q05469 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
DYRK3 O43781 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK1 P06493 1/20 0.32
RET P07949 1/20 0.32
CDK2 P24941 1/20 0.32
FLT4 P35916 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
SCHEMBL26985460 1.00 CDK8 (0.40) CDK8CCNCPTGS1PTGS2ICAM1
SCHEMBL30746484 0.84 PTGS1 (0.40) CDK8CCNCPTGS1PTGS2ICAM1
SCHEMBL26985737 0.84 PTGS1 (0.40) CDK8CCNCPTGS1PTGS2ICAM1
SCHEMBL26985080 0.73 PTGS1 (0.45) CDK8CCNCPTGS1PTGS2ICAM1
SCHEMBL28811745 0.72 UCHL1 (0.34) ICAM1SELEVCAM1UCHL1
SCHEMBL30746489 0.71 HTT (0.38) UCHL1
SCHEMBL26985465 0.71 HTT (0.38) UCHL1
SCHEMBL13727312 0.70 LPL (0.33) UCHL1
SCHEMBL20155354 0.69 MAPT (0.44) LIPE
SCHEMBL365698 0.69 TBXA2R (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551558-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-05-14 EP disclosed
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed