SCHEMBL7326389

SCHEMBL7326389

CCCCCCNCCN1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
GNAI3 P08754 3/20 0.46
GNAO1 P09471 3/20 0.46
GNAI1 P63096 3/20 0.46
ACE2 Q9BYF1 1/20 0.45
LTA4H P09960 1/20 0.44
KDM1A O60341 1/20 0.43
SCN5A Q14524 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DPP7 Q9UHL4 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL13661142 1.00 KDM4E (0.55) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL18995674 0.98 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL21348666 0.98 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL26941949 0.98 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL1677697 0.98 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL25414330 0.98 KDM4E (0.53) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL13661139 0.96 KDM4E (0.52) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL28193913 0.96 ALDH1A1 (0.54) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL21348177 0.92 HRH3 (0.52) KDM4EALDH1A1TSHRCARM1PRMT6
SCHEMBL13644364 0.92 ALDH1A1 (0.53) KDM4EALDH1A1TSHRCARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed