SCHEMBL31124656

SCHEMBL31124656

COc1ccc(OC)c(C#N)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.43
PRKCZ Q05513 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL7064467 1.00 MAPT (0.53) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL26259630 0.87 MAPT (0.48) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL24514955 0.87 LMNA (0.44) MAPTLMNACYP2C9ALDH1A1KDM4E
Sulfuric Acid Dimethyl Ester SCHEMBL8521270 0.85 MAPT (0.47) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL4739158 0.84 RAB9A (0.59) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL7101461 0.82 MAPT (0.41) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL15389432 0.80 ALDH1A1 (0.52) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL12957782 0.80 ALDH1A1 (0.52) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL186647 0.80 MAPT (0.43) MAPTLMNACYP2C9ALDH1A1KDM4E
SCHEMBL5277144 0.79 LMNA (0.42) MAPTLMNACYP2C9ALDH1A1KDM4E

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-20240339644-A1 Symmetric Redox Molecules Using Synergistic Electron Directing Pairs ExxonMobil Technology and Engineering Company (US) 2024-10-10 US disclosed
CN-118684679-A Phthalocyanine compound, acidic substance alarm system and application 兰州大学 2024-09-24 CN disclosed