SCHEMBL14401656

SCHEMBL14401656

CCCn1nc(Br)c([N+](=O)[O-])c1NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2929120 0.85 HTT (0.36) POLBHTTCNR1CNR2SMN1; SMN2
SCHEMBL2928781 0.80 HTT (0.33) POLBHTTCNR1CNR2SMN1; SMN2
SCHEMBL2929857 0.80 POLB (0.31) POLBHTTLMNA
SCHEMBL1074567 0.77 SMN1; SMN2 (0.37) POLBHTTCNR1CNR2SMN1; SMN2
SCHEMBL1026866 0.76 KDM4E (0.45) POLBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5383506 0.75 PKM (0.44) CNR1CNR2SMN1; SMN2MEN1KMT2A
SCHEMBL27603443 0.72 SMN1; SMN2 (0.40) CNR1CNR2SMN1; SMN2
SCHEMBL14401659 0.72 HTT (0.37) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8920797 0.71 ALDH1A1 (0.36) POLBHTTCNR1CNR2SMN1; SMN2
SCHEMBL5409719 0.71 SMN1; SMN2 (0.41) POLBHTTCNR1CNR2SMN1; SMN2

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-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US disclosed