SCHEMBL23299512

SCHEMBL23299512

CCCC[PH](C)(CCCC)c1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 5/20 0.34
CYP1A2 P05177 4/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 3/20 0.34
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 5/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PTGS2 P35354 3/20 0.33
SOAT2 O75908 2/20 0.33
SOAT1 P35610 2/20 0.33
PTGS1 P23219 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL18809800 0.79 CA1 (0.33) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL18802300 0.78 CA1 (0.37) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL18809799 0.75 PTGS2 (0.37) CNR1CNR2KMT2ACYP1A2MEN1
SCHEMBL12930022 0.75 CYP2C9 (0.43) KMT2ACYP1A2MEN1CYP2C9CYP2C19
SCHEMBL409808 0.72 CA1 (0.41) KMT2ACYP1A2MEN1CYP2C9CYP2C19
SCHEMBL140011 0.71 CA1 (0.37) KMT2ACYP1A2MEN1CYP2C9CYP2C19
SCHEMBL15200385 0.71 ALDH1A1 (0.37) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL18802279 0.71 PTGS2 (0.35) CNR1CNR2KMT2ACYP1A2MEN1
SCHEMBL407721 0.70 ALDH1A1 (0.38) KMT2ACYP1A2MEN1MAPTCYP2C9
SCHEMBL10227709 0.69 CCNA2 (0.40) KMT2ACYP1A2MEN1CYP2C9CYP2C19

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-3812040-A1 COMPLEXES Johnson Matthey Public Limited Company (GB) 2021-04-28 EP disclosed