SCHEMBL13629383

SCHEMBL13629383

O=C1CCn2c1cc1c(Br)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.36
PARP1 P09874 1/20 0.34
SMARCA4 P51532 4/20 0.34
PBRM1 Q86U86 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
RECQL P46063 1/20 0.31
ALOX5 P09917 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9279188 0.81 ALOX5 (0.37) PABPC1SMARCA4PBRM1KDM4EHSD17B10
SCHEMBL9258757 0.77 TNFRSF1A (0.43) KDM4EHSD17B10HRH4MEN1KMT2A
SCHEMBL5774331 0.74 GRM2 (0.35) KDM4EHSD17B10CDK5CDK5R1CYP1A1
SCHEMBL9259549 0.73 HTR2A (0.44) PABPC1KMT2AHTR2AHTR2C
SCHEMBL18202213 0.70 PABPC1 (0.49) PABPC1SMARCA4PBRM1KDM4EHSD17B10
SCHEMBL946353 0.69 MEN1 (0.39) KDM4EHSD17B10MEN1KMT2ACYP1A1
SCHEMBL17323108 0.68 PARP1 (0.32) PARP1
SCHEMBL2018382 0.67 ALDH1A1 (0.41) KDM4EHSD17B10MEN1KMT2ACYP1A1
SCHEMBL13618587 0.67 PABPC1 (0.49) PABPC1KDM4EHSD17B10MEN1KMT2A
SCHEMBL6977937 0.66 MEN1 (0.40) PABPC1KDM4EHSD17B10MEN1KMT2A

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
US-7618979-B2 Pyridopyrrolizine and pyridoindolizine derivatives MERCK FROSST CANADA LTD. (CA) 2009-11-17 US disclosed