SCHEMBL8908222

SCHEMBL8908222

NC(CSCC(N)c1ccnc2ccccc12)c1ccnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
NCF1 P14598 1/20 0.47
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
FERMT2 Q96AC1 1/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
PTK2B Q14289 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 3/20 0.36
AAK1 Q2M2I8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL8908132 0.81 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL277463 0.81 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL263407 0.81 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL9186226 0.78 LOXL2 (0.47) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL15924403 0.77 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL14120837 0.77 NCF1 (0.52) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL264120 0.77 NCF1 (0.52) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL13868218 0.77 NCF1 (0.52) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL14122720 0.77 NCF1 (0.52) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL8907421 0.77 NCF1 (0.52) LOXL2NCF1HTR1AADRA1DADRA1A

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
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed