SCHEMBL25936119

SCHEMBL25936119

CCCC/C(=N\c1c(C)cccc1C)c1cccc(/C(CCCC)=N/c2c(C)cccc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.37
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
KMT2A Q03164 4/20 0.35

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
SCHEMBL25334797 1.00 KDM4E (0.39) KDM4ELMNAHSP90AA1USP2ALOX15
SCHEMBL25331690 0.98 KDM4E (0.38) KDM4ELMNAHSP90AA1USP2ALOX15
Hydrochloric Acid SCHEMBL25332634 0.97 KDM4E (0.40) KDM4ELMNAHSP90AA1USP2ALOX15
SCHEMBL25332631 0.94 KDM4E (0.36) KDM4ELMNAHSP90AA1USP2ALOX15
SCHEMBL30537939 0.94 LMNA (0.43) KDM4ELMNAHSP90AA1USP2ALOX15
Butadiene SCHEMBL25333354 0.93 KDM4E (0.35) KDM4ELMNAHSP90AA1USP2ALOX15
SCHEMBL30537966 0.93 LMNA (0.46) KDM4ELMNAHSP90AA1USP2ALOX15
SCHEMBL30537953 0.93 LMNA (0.46) KDM4ELMNAHSP90AA1USP2ALOX15
SCHEMBL30537961 0.93 LMNA (0.46) KDM4ELMNAHSP90AA1USP2ALOX15
SCHEMBL25333520 0.89 KDM4E (0.33) KDM4ELMNAHSP90AA1USP2ALOX15

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
US-20230250200-A1 IMPROVED CATALYSTS FOR INTERMOLECULAR CYCLOADDITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-08-10 US disclosed
US-20230250200-A1 IMPROVED CATALYSTS FOR INTERMOLECULAR CYCLOADDITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-08-10 US disclosed