SCHEMBL7904007

SCHEMBL7904007

Nc1nc(N2CCCCC2)nn1-c1nnc(-c2ccccc2OCCCCN2CCOCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
FLT3 P36888 1/20 0.39
AXL P30530 2/20 0.38
BACE1 P56817 2/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL7905773 0.91 BACE1 (0.39) USP2KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL7908545 0.87 PRKDC (0.39) USP2KDM4ETDP1LMNAPOLB
SCHEMBL7905966 0.87 CYP2D6 (0.49) KDM4EALDH1A1TDP1HRH3KMT2A
SCHEMBL7896504 0.86 HRH3 (0.39) KDM4EALDH1A1HRH3HTR2AHTR7
SCHEMBL7896424 0.86 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HRH3KMT2A
SCHEMBL7896551 0.85 CNR2 (0.36) USP2KDM4ETDP1HRH3KMT2A
SCHEMBL7905780 0.85 HRH3 (0.40) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL7896508 0.84 HRH3 (0.41) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL7908481 0.83 PIK3CB (0.44) KDM4ETDP1HRH3KMT2AMEN1
SCHEMBL7902674 0.83 HRH3 (0.40) KDM4EHRH3HTR7

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