SCHEMBL19501351

SCHEMBL19501351

Cc1c(N)c([N+](=O)[O-])cc([N+](=O)[O-])c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 2/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CTSB P07858 1/20 0.40
LMNA P02545 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
SCHEMBL10472840 0.89 MAPT (0.46) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL2100657 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL30857808 0.87 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL16972835 0.87 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL27768818 0.86 TSHR (0.47) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL9676449 0.85 TDP1 (0.50) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL28253345 0.83 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL28472951 0.83 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL28177843 0.81 GPR35 (0.60) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL9675562 0.80 TSHR (0.48) TSHRALDH1A1CYP3A4CYP1A2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306154-A1 HIGH WET FAST DISPERSE DYES AND MIXTURES THEREOF DyStar Coulours Distribution GmbH (DE) 2017-10-26 US disclosed
CN-102885080-B Herbicide compositions and weedkilling method using the same KUMIAI CHEMICAL INDUSTRY CO 2015-04-15 CN disclosed
CN-102885051-B Herbicide compositions and weedkilling method using the same KUMIAI CHEMICAL INDUSTRY CO 2015-04-08 CN disclosed