SCHEMBL7905780

SCHEMBL7905780

Nc1nc(N2CCCCC2)nn1-c1nnc(-c2ccccc2OCCCBr)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
BACE1 P56817 2/20 0.33
PTPN11 Q06124 1/20 0.32
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 5/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 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
SCHEMBL7896504 0.97 HRH3 (0.39) HRH3BACE1PTPN11ALDH1A1KDM4E
SCHEMBL7896508 0.95 HRH3 (0.41) HRH3BACE1PTPN11ALDH1A1KDM4E
SCHEMBL7896551 0.91 CNR2 (0.36) HRH3BACE1KDM4EMEN1KMT2A
SCHEMBL7902674 0.88 HRH3 (0.40) HRH3PTPN11KDM4E
SCHEMBL7904632 0.88 HRH3 (0.41) HRH3ALDH1A1KDM4EHPGDMEN1
SCHEMBL7905274 0.87 HRH3 (0.41) HRH3PTPN11ALDH1A1KDM4E
SCHEMBL7904622 0.87 HRH3 (0.39) HRH3PTPN11ALDH1A1KDM4E
SCHEMBL7902706 0.87 HRH3 (0.38) HRH3ALDH1A1KDM4EHSD17B10
SCHEMBL7904007 0.85 USP2 (0.40) HRH3BACE1ALDH1A1KDM4EMEN1
SCHEMBL7904665 0.85 HRH3 (0.36) HRH3BACE1ALDH1A1KDM4EHPGD

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