SCHEMBL30200129

SCHEMBL30200129

BrCc1ccnc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
NCF1 P14598 1/20 0.52
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.44
FERMT2 Q96AC1 1/20 0.44
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2592802 1.00 LOXL2 (0.64) LOXL2NCF1HTR1AADRA1DADRA1A
Bromide SCHEMBL15618161 0.98 LOXL2 (0.62) LOXL2NCF1HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL8762058 0.98 LOXL2 (0.62) LOXL2NCF1HTR1AADRA1DADRA1A
Benzene SCHEMBL6631416 0.98 LOXL2 (0.62) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL1282250 0.85 MAPT (0.54) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL27751565 0.83 LOXL2 (0.60) LOXL2NCF1HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL16752130 0.83 MAPT (0.52) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL334360 0.80 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL31599195 0.80 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A
Bromide SCHEMBL9399386 0.78 LOXL2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594669-B Parallel ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-11-05 CN disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed