SCHEMBL10216634

SCHEMBL10216634

CC(NC(=C1CC1)c1nn(Cc2ccccc2)c2c1CCCC2c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PTGER4 P35408 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
IDH1 O75874 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
SCHEMBL13871668 0.88 ALDH1A1 (0.45) PRCPMEN1KMT2AKCNQ3KCNQ2
SCHEMBL176699 0.85 ALDH1A1 (0.46) PRCPMEN1KMT2AKCNQ3KCNQ2
SCHEMBL300346 0.78 KCNQ3 (0.39) PRCPKCNQ3KCNQ2ALDH1A1MAPK1
SCHEMBL13871545 0.77 CNR1 (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL14027872 0.77 CYP2D6 (0.32) PRCPMEN1KMT2AALDH1A1LMNA
SCHEMBL3467155 0.75 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13889389 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1IDH1
SCHEMBL13871616 0.73 CNR1 (0.37) MEN1KMT2AALDH1A1LMNASMYD3
SCHEMBL13871552 0.72 CNR1 (0.43) ALDH1A1
SCHEMBL13889471 0.72 CNR1 (0.43) ALDH1A1

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-1735286-B1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP disclosed