SCHEMBL16618869

SCHEMBL16618869

Cc1noc(C)c1-c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ERN1 O75460 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GPR35 Q9HC97 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL11980663 0.86 ALDH1A1 (0.49) TDP1ERN1MEN1KMT2AALDH1A1
SCHEMBL18249984 0.83 HSD17B10 (0.46) TDP1ERN1MEN1KMT2AALDH1A1
SCHEMBL18258249 0.83 ALDH1A1 (0.44) TDP1ERN1MEN1KMT2AALDH1A1
SCHEMBL18249936 0.82 ALDH1A1 (0.46) TDP1ERN1MEN1KMT2AALDH1A1
SCHEMBL1903461 0.81 TDP1 (0.48) TDP1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL17467704 0.80 AKR1C3 (0.41) TDP1ERN1MEN1KMT2AALDH1A1
SCHEMBL19551776 0.79 BRD4 (0.51) ERN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL29718836 0.79 BRD4 (0.51) ERN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL24398702 0.78 MEN1 (0.46) TDP1ERN1MEN1KMT2AALDH1A1
SCHEMBL29619095 0.78 MEN1 (0.46) TDP1ERN1MEN1KMT2AALDH1A1

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
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed