SCHEMBL5580913

SCHEMBL5580913

Cc1ccc2cc[nH]c2c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TNF P01375 1/20 0.41
RIPK1 Q13546 1/20 0.41
AHR P35869 1/20 0.39
REN P00797 2/20 0.39
BRD4 O60885 1/20 0.38
TAF1 P21675 1/20 0.38
BRPF1 P55201 1/20 0.38
CREBBP Q92793 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
PDPK1 O15530 1/20 0.37
CD44 P16070 1/20 0.34

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
SCHEMBL6097464 0.79 TNF (0.42) MAPTPOLBTNFRIPK1AHR
SCHEMBL29713816 0.79 TNF (0.42) MAPTPOLBTNFRIPK1AHR
SCHEMBL16091101 0.77 TNF (0.50) POLBTNFRIPK1AHRREN
SCHEMBL18966966 0.76 TNF (0.59) TNFRIPK1AHRBRD4TAF1
SCHEMBL917801 0.76 TNF (0.39) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL24373440 0.76 TNF (0.39) POLBTNFRIPK1AHRREN
SCHEMBL29488158 0.76 TNF (0.39) ALDH1A1GAATNFRIPK1AHR
SCHEMBL24953856 0.76 TNF (0.39) POLBTNFRIPK1AHRREN
SCHEMBL25079005 0.76 TNF (0.39) ALDH1A1GAATNFRIPK1AHR
SCHEMBL29361387 0.76 TNF (0.39) POLBTNFRIPK1AHRREN

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-20070259827-A1 Compositions and methods for enhancing discriminatory RNA interference UNIVERSITY OF MASSACHUSETTS (US) 2007-11-08 US disclosed
WO-2007087451-A2 COMPOSITIONS AND METHODS FOR ENHANCING DISCRIMINATORY RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2007-08-02 WO disclosed