SCHEMBL6697103

SCHEMBL6697103

CCCN1CCCN(C(=O)c2cc(N)ccc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
POLB P06746 2/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CHKA P35790 1/20 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
SCHEMBL6692012 0.92 CA2 (0.42) PARP1
SCHEMBL6697097 0.86 PARP1 (0.42) PARP1POLBHPGDSMN1; SMN2KMT2A
SCHEMBL23981505 0.85 POLB (0.42) PARP1POLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL30396921 0.85 POLB (0.42) PARP1POLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL15688203 0.85 HRH4 (0.43) GAAHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL6692578 0.79 LMNA (0.47) PARP1GAAKMT2AALDH1A1ALOX15
SCHEMBL6692009 0.79 CA12 (0.46) PARP1
SCHEMBL6927396 0.78 PARP1 (0.56) PARP1POLBHPGDSMN1; SMN2KMT2A
SCHEMBL6692234 0.77 HTR4 (0.52) POLBGAAKMT2AALDH1A1MEN1
SCHEMBL23981573 0.76 HTT (0.47) POLBGAAHPGDKMT2AALDH1A1

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
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed