SCHEMBL31504073

SCHEMBL31504073

Clc1cccc(-c2ccc3c(c2)CCN3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.64
PARP11 Q9NR21 2/20 0.64
PGR P06401 8/20 0.55
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
TDP2 O95551 1/20 0.46
PIK3CD O00329 1/20 0.44
HTR2C P28335 2/20 0.44
ASIC3 Q9UHC3 1/20 0.44
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL10924778 0.87 PARP10 (0.60) PARP10PARP11PGRTDP2HTR2C
SCHEMBL28403784 0.84 DRD2 (0.63) PARP10PARP11DRD2DRD4PIK3CD
SCHEMBL29756191 0.84 DRD2 (0.63) PARP10PARP11DRD2DRD4PIK3CD
SCHEMBL1436033 0.82 KDM4E (0.63) PARP10PARP11DRD2DRD4TDP2
SCHEMBL31504071 0.80 PARP10 (0.64) PARP10PARP11DRD2DRD4KDM4E
SCHEMBL154428 0.80 DRD4 (0.64) PARP10DRD2DRD4HTR2CNOTUM
SCHEMBL8159245 0.78 PARP10 (1.00) PARP10PARP11PGRTDP2
Bromide SCHEMBL949153 0.78 DRD4 (0.62) PARP10DRD2DRD4HTR2CNOTUM
SCHEMBL24287036 0.78 PARP10 (0.50) PARP10PARP11PGRTDP2HTR2C
SCHEMBL20956992 0.76 TNIK (0.56) PGRDRD2DRD4HTR2CKDM4E

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-119822910-A Method for catalyzing heterogeneous reduction of nitrogen-containing heterocyclic compound by using magnesium metal 延安大学 2025-04-15 CN disclosed