SCHEMBL9608367

SCHEMBL9608367

O=[N+]([O-])c1cccc2cc(CO)c(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 3/20 0.50
CASP6 P55212 2/20 0.50
CTSB P07858 2/20 0.46
CDK2 P24941 2/20 0.45
GPR35 Q9HC97 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX12 P18054 1/20 0.40
ADRA2B P18089 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
SCHEMBL419966 0.84 ALDH1A1 (0.58) ALDH1A1TDP1CASP6CTSBCDK2
SCHEMBL15801194 0.84 ALDH1A1 (0.51) ALDH1A1TDP1CASP6GPR35TSHR
SCHEMBL9608371 0.82 ALDH1A1 (0.50) ALDH1A1TDP1CASP6CTSBCDK2
SCHEMBL9608361 0.80 ALDH1A1 (0.47) ALDH1A1TDP1CASP6CDK2GPR35
SCHEMBL14867804 0.79 ALDH1A1 (0.53) ALDH1A1TDP1CASP6CTSBCDK2
SCHEMBL14859939 0.78 ALDH1A1 (0.51) ALDH1A1TDP1CASP6CTSBCDK2
SCHEMBL9608369 0.78 FBP1 (0.47) ALDH1A1TDP1CASP6CDK2TSHR
SCHEMBL9735773 0.78 ALDH1A1 (0.69) ALDH1A1TDP1CASP6GPR35TSHR
SCHEMBL13206983 0.77 ALDH1A1 (0.44) ALDH1A1TDP1CASP6CTSBCDK2
SCHEMBL13198027 0.77 ALDH1A1 (0.44) ALDH1A1TDP1CASP6CTSBCDK2

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 8 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