SCHEMBL25843243

SCHEMBL25843243

CCCc1c(C#N)cccc1CN

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
TSHR P16473 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA2C P18825 1/20 0.33
KDM5A P29375 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL22447106 0.86 TSHR (0.36) ARTSHRLOXL2PNMTKDM4E
SCHEMBL29239979 0.83 PNMT (0.39) TSHRLOXL2PNMTALDH1A1ADRA2C
SCHEMBL6457239 0.79 CYP3A4 (0.41) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL14345467 0.78 KDM5A (0.34) ARALDH1A1KDM5AMEN1KMT2A
SCHEMBL8074849 0.77 PNMT (0.40) PNMTKDM4EALDH1A1GAAHPGD
SCHEMBL28044154 0.76 GABRA1 (0.39) ARTSHRALDH1A1
SCHEMBL3668917 0.76 PNMT (0.39) PNMTKDM4EALDH1A1GAAHPGD
SCHEMBL25483123 0.75 TAAR1 (0.39) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL2134361 0.75 ALDH1A1 (0.39) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL21910132 0.75 MPO (0.38) ARTSHRKDM4EALDH1A1GAA

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-3630738-B1 PROCESS FOR THE PRODUCTION OF OZANIMOD EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2023-07-19 EP disclosed