SCHEMBL23401110

SCHEMBL23401110

CC(C)c1c(O)c(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
GAA P10253 1/20 0.42
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL23398755 0.91 CCNA2 (0.46) MEN1KMT2AALDH1A1PTGS1GAA
SCHEMBL23403248 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1CCNA2CDK2
SCHEMBL23398386 0.87 RPA1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL23400029 0.87 RPA1 (0.47) MEN1KMT2AALDH1A1PTGS2PTGS1
SCHEMBL2739305 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1PTGS2PTGS1
SCHEMBL23400754 0.83 ESR1 (0.42) MEN1KMT2AALDH1A1PTGS2CCNA2
SCHEMBL23402379 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL23398719 0.80 RECQL (0.50) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL23400579 0.80 MAPK1 (0.47) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL23401396 0.79 KMT2A (0.43) KMT2AALDH1A1PTGS2EGFRSRC

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed