SCHEMBL28705758

SCHEMBL28705758

CNc1cc(Br)ccc1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
GPR35 Q9HC97 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNA4 P43681 2/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGER3 P43115 1/20 0.31

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
SCHEMBL24576336 0.79 GABRA1 (0.37) MAPTRAB9ALMNAHPGDSMN1; SMN2
SCHEMBL19007359 0.78 GABRA1 (0.34) MAPTNPC1RAB9ALMNAHTT
SCHEMBL18851192 0.77 HTR2A (0.36) CHRNB2CHRNA7CHRNA4HTR2ASLC6A4
SCHEMBL6650753 0.76 PYCR1 (0.43) MAPTNPC1RAB9ALMNAHPGD
SCHEMBL11462319 0.73 PYCR1 (0.46) MAPTNPC1RAB9ALMNAHPGD
SCHEMBL12320858 0.73 GABRA1 (0.36) MAPTGABRA1GABRB2HTR2A
SCHEMBL8252272 0.73 PYCR1 (0.46) GABRA1GABRB2
SCHEMBL20344540 0.73 TYR (0.41) MAPTNPC1RAB9ALMNAHTT
SCHEMBL31424440 0.73 HPGD (0.34) MAPTLMNAHPGDHTTSMN1; SMN2
SCHEMBL23586646 0.73 CHRNB2 (0.40) MAPTLMNAHPGDHTTGABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed