SCHEMBL8306856

SCHEMBL8306856

N=C(Nc1ccc2c(c1)C(NCc1ccccc1)CCC2)C1=CC=CCC1=S

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
KCNA5 P22460 3/20 0.41
CTSS P25774 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PRMT5 O14744 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL8306747 0.87 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL8310235 0.80 GRIN2B (0.49) NPC1RAB9A
SCHEMBL8309546 0.80 FYN (0.47) NPC1RAB9A
SCHEMBL8310121 0.79 ACHE (0.38) CTSSNPC1KMT2A
SCHEMBL8187982 0.77 KDM4E (0.42) KDM4EKCNA5CTSSALDH1A1PRMT5
SCHEMBL8308398 0.75 KMT2A (0.37) KDM4EALDH1A1KMT2AMEN1
SCHEMBL8309243 0.75 MTTP (0.45) RAB9AKMT2AMEN1
SCHEMBL8308422 0.75 ACHE (0.36)
SCHEMBL6555243 0.72 TAS2R38 (0.38) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7510363 0.72 CNR1 (0.41) CTSS

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-0759027-B1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AB (SE) 1999-08-04 EP claimed