Cyclopentane

Cyclopentane

SCHEMBL14348246

C1CCCC1.CC(C)NCc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2CC#N)c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.45
ALDH1A1 P00352 1/20 0.41
BRPF1 P55201 9/20 0.41
BRD1 O95696 7/20 0.41
BRD4 O60885 4/20 0.41
BRD9 Q9H8M2 4/20 0.41
BRPF3 Q9ULD4 5/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.37
PARG Q86W56 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SMARCA2 P51531 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
SCHEMBL4193065 0.89 TP53 (0.41) TP53ALDH1A1BRPF1BRD1BRD4
SCHEMBL4202091 0.79 ALDH1A1 (0.44) TP53ALDH1A1BRPF1BRD1BRD4
SCHEMBL4190288 0.79 ALDH1A1 (0.44) TP53ALDH1A1BRPF1BRD1BRD4
SCHEMBL4187951 0.78 ALDH1A1 (0.43) TP53ALDH1A1BRPF1BRD1BRD4
SCHEMBL4192303 0.75 BRPF1 (0.50) ALDH1A1BRPF1BRD1BRD4BRD9
SCHEMBL4193183 0.75 BRPF1 (0.50) ALDH1A1BRPF1BRD1BRD4BRD9
SCHEMBL4193118 0.74 BRPF1 (0.51) ALDH1A1BRPF1BRD1BRD4BRD9
Cyclopentane SCHEMBL4192569 0.72 KDM4E (0.48) ALDH1A1KDM4EPKMLMNAPOLB
SCHEMBL12050292 0.69 BRPF1 (0.65) TP53ALDH1A1BRPF1BRD1BRD4
Cyclopentane SCHEMBL4188224 0.68 ALDH1A1 (0.44) ALDH1A1KDM4EPKMLMNAPOLB

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-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed