SCHEMBL7903787

SCHEMBL7903787

C=CCN(CC=C)c1nc(N)n(-c2nnc(-c3ccccc3OCCN(C)C)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 5/20 0.33
NOS1 P29475 5/20 0.33
NOS2 P35228 4/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1B P28222 1/20 0.33
ATM Q13315 1/20 0.30
AURKA O14965 1/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
HRH1 P35367 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
SCHEMBL7903918 0.96 ATM (0.34) HTR7ALDH1A1KDM4EADRB2ADRB1
SCHEMBL7908482 0.91 ALDH1A1 (0.32) ALDH1A1KDM4EHTR1BATM
SCHEMBL7902642 0.85 HTR1B (0.36) HTR7ALDH1A1KDM4EADRB2ADRB1
SCHEMBL7896515 0.83 HTR1B (0.38) HTR7ALDH1A1KDM4EADRB2ADRB1
SCHEMBL7905806 0.81 HTR7 (0.40) HTR7ALDH1A1KDM4ESMN1; SMN2NOS3
SCHEMBL7904733 0.80 RAB9A (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7904672 0.80 HTR1B (0.39) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7903818 0.79 ATM (0.34) HTR7ALDH1A1KDM4ENOS3NOS1
SCHEMBL7905809 0.78 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL7905274 0.78 HRH3 (0.41) HTR7ALDH1A1KDM4ESMN1; SMN2NOS3

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