SCHEMBL7905809

SCHEMBL7905809

CN(C)c1nc(N)n(-c2nnc(-c3ccccc3OCCCBr)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HRH3 Q9Y5N1 1/20 0.34
HSD17B10 Q99714 3/20 0.32
PTPN11 Q06124 1/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7896515 0.90 HTR1B (0.38) KDM4EALDH1A1HRH3
SCHEMBL7902622 0.84 KDM4E (0.36) KDM4EALDH1A1HRH3HSD17B10HPGD
SCHEMBL7902642 0.82 HTR1B (0.36) KDM4EALDH1A1HRH3HSD17B10
SCHEMBL7903985 0.81 KDM4E (0.34) KDM4EALDH1A1HRH3HSD17B10HPGD
SCHEMBL7905780 0.80 HRH3 (0.40) KDM4EALDH1A1HRH3HSD17B10PTPN11
SCHEMBL7904672 0.80 HTR1B (0.39) KDM4EALDH1A1HRH3
SCHEMBL7904676 0.79 RAB9A (0.33) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL7902606 0.79 KDM4E (0.36) KDM4EALDH1A1HRH3HSD17B10PTPN11
SCHEMBL7903918 0.79 ATM (0.34) KDM4EALDH1A1HRH3
SCHEMBL7904717 0.79 MAOB (0.33) KDM4EALDH1A1

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
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed