SCHEMBL31473702

SCHEMBL31473702

N#CCCn1nnc2ccc(Br)cc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.63
TSHR P16473 1/20 0.63
KMO O15229 1/20 0.40
CYP1A2 P05177 1/20 0.38
SLC9A1 P19634 6/20 0.37
CSNK2A1 P68400 1/20 0.37
MGAM O43451 2/20 0.36
AMY1A P0DUB6 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
PTK2 Q05397 3/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.34

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
SCHEMBL27038475 1.00 GLA (0.63) GLATSHRKMOCYP1A2SLC9A1
SCHEMBL31642496 0.80 SLC9A1 (0.60) KMOSLC9A1MGAMAMY1AGAA
SCHEMBL26978926 0.80 KMO (0.42) GLATSHRKMOSLC9A1MGAM
SCHEMBL31473688 0.76 HCAR3 (0.52) KMOSLC9A1LMNARAB9ANPC1
SCHEMBL20529672 0.76 HCAR3 (0.52) KMOSLC9A1LMNARAB9ANPC1
SCHEMBL31473638 0.76 SLC9A1 (0.58) KMOSLC9A1MGAMAMY1AGAA
SCHEMBL20529652 0.76 SLC9A1 (0.58) KMOSLC9A1MGAMAMY1AGAA
SCHEMBL27037509 0.74 HCAR3 (0.44) KMOSLC9A1LMNARAB9ANPC1
SCHEMBL31473938 0.74 HCAR3 (0.44) KMOSLC9A1LMNARAB9ANPC1
SCHEMBL20529671 0.72 MGAM (0.38) KMOSLC9A1MGAMAMY1AGAA

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
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed