SCHEMBL7904665

SCHEMBL7904665

C=CCN(CC=C)CCOc1ccccc1-c1nnc(-n2nc(N3CCCCC3)nc2N)s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL7905274 0.87 HRH3 (0.41) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL7896508 0.86 HRH3 (0.41) HRH3KDM4EALDH1A1HPGDKMT2A
SCHEMBL7896445 0.86 KDM4E (0.34) HRH3KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL7905780 0.85 HRH3 (0.40) HRH3KDM4EALDH1A1HPGDKMT2A
SCHEMBL7902674 0.85 HRH3 (0.40) HRH3KDM4EATM
SCHEMBL7896504 0.85 HRH3 (0.39) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL7904622 0.84 HRH3 (0.39) HRH3KDM4EALDH1A1ATM
SCHEMBL7902706 0.84 HRH3 (0.38) HRH3KDM4EALDH1A1
SCHEMBL7904007 0.79 USP2 (0.40) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL7908482 0.78 ALDH1A1 (0.32) KDM4EALDH1A1HPGDATMKMT2A

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