SCHEMBL24523964

SCHEMBL24523964

N#Cc1cc2c(c3c1C1CCC3CC1)c1cccc3c4c5c(c(C#N)cc4n2c13)C1CCC5CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ELANE P08246 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL24524311 0.94 AR (0.31) PNMTKDM4EALDH1A1
SCHEMBL24524359 0.87 MAOA (0.36) KDM4EALDH1A1
SCHEMBL24524234 0.84
SCHEMBL24524005 0.84 CA1 (0.31) ELANE
SCHEMBL24524275 0.83 KCNA3 (0.30)
SCHEMBL24524242 0.80 SSTR2 (0.33) KDM4EALDH1A1
SCHEMBL24524495 0.79 MAOA (0.33) KDM4EALDH1A1
SCHEMBL24524356 0.79 KDM4E (0.33) KDM4EALDH1A1IMPDH2
SCHEMBL24523731 0.76 IMPDH2 (0.33) KDM4EALDH1A1IMPDH2
SCHEMBL26346197 0.75 KDM4E (0.30) KDM4EALDH1A1IMPDH2

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-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed