SCHEMBL9531171

SCHEMBL9531171

CCN(CC)c1ccc(C)c2[nH]c3c(c12)Cc1ccccc1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CDK1 P06493 3/20 0.34
CDK5 Q00535 3/20 0.34
CCNB2 O95067 2/20 0.34
CCNB1 P14635 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
EIF2AK1 Q9BQI3 1/20 0.33
KDR P35968 2/20 0.32
PGR P06401 1/20 0.31
NTRK1 P04629 1/20 0.31
MAP3K9 P80192 1/20 0.31
MAP3K10 Q02779 1/20 0.31
MAP3K11 Q16584 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 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
SCHEMBL10382343 0.91 HIF1A (0.36) CA1CA2CA4CA6MEN1
SCHEMBL7200645 0.76 CA1 (0.45) CA1CA2CA4CA6CDK1
SCHEMBL9526355 0.75 CA1 (0.43) CA1CA2CA4CA6CDK1
SCHEMBL9526921 0.74 CA1 (0.46) CA1CA2CA4CA6CDK1
SCHEMBL16559092 0.68 PNMT (0.49) CA1CA2CA4CA6PGR
SCHEMBL8946637 0.65 CA1 (0.54) CA1CA2CA4CA6CDK1
SCHEMBL8946264 0.65 CA1 (0.43) CA1CA2CA4CA6CDK1
SCHEMBL9527581 0.64 CA1 (0.46) CA1CA2CA4CA6CDK1
SCHEMBL9528300 0.64 DDB1 (0.34) CA1CA2CA4CA6KDR
SCHEMBL23649412 0.64 CA1 (0.47) CA1CA2CA4CA6CDK1

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
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed