SCHEMBL8084093

SCHEMBL8084093

CN(C)c1ccc(CSc2ccnc3cc(N(C)C)ccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.39
PRNP P04156 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
TERT O14746 1/20 0.37
APP P05067 1/20 0.37
SYK P43405 8/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELANE P08246 1/20 0.35
GAA P10253 2/20 0.34
EGFR P00533 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 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
SCHEMBL8076742 0.89 QPCT (0.41) RXFP1PRNPKDM4EPOLBKMT2A
SCHEMBL8084734 0.86 HTR2C (0.44) RXFP1KDM4EPOLBSYKCYP3A4
SCHEMBL8076714 0.85 PRNP (0.34) RXFP1PRNPKDM4EPOLBKMT2A
SCHEMBL8076750 0.74 BACE1 (0.39) RXFP1PRNPKDM4EPOLBKMT2A
SCHEMBL8084817 0.73 HTR2C (0.43) KDM4EKMT2ASYKCYP3A4ALDH1A1
SCHEMBL8084787 0.72 KMT2A (0.39) RXFP1PRNPKDM4EPOLBKMT2A
SCHEMBL8088277 0.72 PRNP (0.33) RXFP1PRNPKDM4EPOLBKMT2A
SCHEMBL10363411 0.71 TERT (0.47) KDM4EKMT2ATERTAPPSYK
SCHEMBL30565763 0.71 TERT (0.47) KDM4EKMT2ATERTAPPSYK
SCHEMBL1881828 0.69 TERT (0.46) KDM4ETERTAPPSYKALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed