SCHEMBL18152663

SCHEMBL18152663

CCCCc1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KCNJ1 P48048 1/20 0.41
PKM P14618 1/20 0.38
PIM3 Q86V86 1/20 0.36
GPR84 Q9NQS5 3/20 0.35

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
SCHEMBL5901201 0.81 GAA (0.40) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL1281660 0.78 SMN1; SMN2 (0.42) GAALMNAMAPT
SCHEMBL1281568 0.73 AKR1B1 (0.35) GAAKDM4ELMNAMAPT
SCHEMBL18152708 0.72 RIPK1 (0.41)
SCHEMBL1892570 0.70 KDM4E (0.52) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL1918148 0.69 EGLN1 (0.40) KDM4EALDH1A1
SCHEMBL8434384 0.69 KDM4E (0.40) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL7608611 0.68 KDM4E (0.85) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL7608604 0.68 KDM4E (0.67) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL15269858 0.68 HDAC3 (0.61) KDM4EALDH1A1LMNAMAPTKCNJ1

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
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 EP disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 WO disclosed