SCHEMBL30968480

SCHEMBL30968480

O=C(OCc1ccccc1)N1CCNCC1c1c(F)c(F)c(CBr)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
HTR2C P28335 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SIGMAR1 Q99720 5/20 0.37

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
SCHEMBL30968423 0.91 PARP1 (0.48) PARP1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL30968543 0.85 PARP1 (0.48) PARP1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL30968466 0.84 PARP1 (0.44) PARP1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL30968415 0.83 PARP1 (0.42) PARP1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL2706679 0.81 HTR2C (0.52) PARP1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL30968411 0.80 PARP1 (0.45) PARP1HTR2CKMT2AMEN1NPSR1
SCHEMBL30968414 0.77 PARP1 (0.40) PARP1HTR2CNPSR1SIGMAR1TMEM97
SCHEMBL28568874 0.76 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKMT2ACYP2C19
SCHEMBL29724285 0.75 HTR2C (0.51) PARP1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL28978048 0.75 HTR2C (0.46) PARP1HTR2CSMN1; SMN2NPC1RAB9A

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed