SCHEMBL9609237

SCHEMBL9609237

COc1cc2cccc([N+](=O)[O-])c2cc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
BRCA1 P38398 1/20 0.43
HNF4A P41235 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HPGD P15428 2/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL426021 0.84 ALDH1A1 (0.56) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL13198053 0.84 ALDH1A1 (0.42) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL9609207 0.83 HSD17B10 (0.45) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL13198026 0.83 CYP3A4 (0.49) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL13206982 0.82 TDP1 (0.44) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL9609231 0.81 MAPT (0.43) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL13206931 0.80 MTNR1A (0.49) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL15803233 0.80 ALDH1A1 (0.51) ALDH1A1TDP1TP53CYP1A2BRCA1
SCHEMBL9609219 0.79 ALDH1A1 (0.45) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL9609210 0.79 ALDH1A1 (0.50) ALDH1A1TDP1TP53CYP1A2BRCA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9551029-B2 Methods and kits using extended rhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2017-01-24 US disclosed
US-20160122813-A1 Methods And Kits Using Extended Rhodamine Dyes THE PERKIN-ELMER CORPORATION 2016-05-05 US disclosed
US-9309561-B2 Methods and kits using extended rhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2016-04-12 US disclosed
US-20140171336-A1 Methods and Kits Using Extended Rhodamine Dyes Life Technologies Corporation (US) 2014-06-19 US disclosed
US-8628975-B2 Methods and kits using extended rhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2014-01-14 US disclosed
US-20120135885-A1 Methods and Kits Using Extended Rhodamine Dyes Life Technologies Corporation (US) 2012-05-31 US disclosed
US-8124746-B2 Methods and kits using extended rhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2012-02-28 US disclosed
US-20110053282-A1 Methods and Kits Using Extended Rhodamine Dyes Life Technologies Corporation (US) 2011-03-03 US disclosed
US-7776568-B2 Rhodamine dye compounds for patterns with DNA sequences for kits APPLIED BIOSYSTEMS, LLC (US) 2010-08-17 US disclosed
US-7776568-B2 Rhodamine dye compounds for patterns with DNA sequences for kits APPLIED BIOSYSTEMS, LLC (US) 2010-08-17 US disclosed