SCHEMBL3369814

SCHEMBL3369814

CCC(C(N)=O)N1C(=O)Cc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
LMNA P02545 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CASP2 P42575 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL662686 0.85 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL12472190 0.85 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL661249 0.83 BMPR1B (0.39) DPP8DPP9DPP7LMNACASP2
SCHEMBL787397 0.81 DPP8 (0.38) DPP8DPP9DPP7LMNACA12
SCHEMBL9106358 0.80 MCL1 (0.47) LMNACASP2HDAC1HDAC8HDAC6
SCHEMBL22667214 0.76 BMPR1B (0.52) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL7206240 0.75 BMPR1B (0.36) DPP8DPP9DPP7LMNACASP2
SCHEMBL9106355 0.74 NAMPT (0.37) HDAC1HDAC8HDAC6BMPR1BBMPR1A
SCHEMBL2003570 0.74 P2RX3 (0.42) HDAC1HDAC8HDAC6HSD17B3KMT2A
SCHEMBL664077 0.71 HDAC1 (0.44) CASP2HDAC1HDAC8HDAC6HSD17B3

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
EP-1620399-B1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2010-09-22 EP claimed