SCHEMBL9396807

SCHEMBL9396807

COc1cc(N)cc2c1NCCC2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.40
SRC P12931 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
SCHEMBL11701223 0.81 PARP1 (0.40) PARP1SRC
SCHEMBL12525237 0.80 HTR2A (0.40) PARP1SRC
SCHEMBL9394262 0.77 ALDH1A1 (0.39) PARP1SRC
SCHEMBL18033415 0.75 KDM4E (0.50) PARP1SRC
SCHEMBL9181279 0.74 GAA (0.39) PARP1
SCHEMBL4947260 0.73 PARP1 (0.39) PARP1
SCHEMBL2333682 0.72 SRC (0.60) PARP1SRC
SCHEMBL11124049 0.72 CA9 (0.42)
SCHEMBL11696647 0.72 CXCR4 (0.43) SRC
SCHEMBL18033416 0.70 HSD17B2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994028863-A1 8-AMINO-1,2,3,4-TETRAHYDROQUINOLINES AS COUPLERS IN DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-12-22 WO claimed
WO-1994028863-A1 8-AMINO-1,2,3,4-TETRAHYDROQUINOLINES AS COUPLERS IN DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-12-22 WO disclosed