SCHEMBL9243455

SCHEMBL9243455

CCNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.89
ALDH1A1 P00352 3/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.53
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
APP P05067 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
IDO1 P14902 1/20 0.46

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
SCHEMBL570831 0.94 MAPT (1.00) MAPTALDH1A1RECQLHSD17B10POLB
Hydrochloric Acid SCHEMBL1405413 0.92 MAPT (0.96) MAPTALDH1A1RECQLHSD17B10POLB
Bromide SCHEMBL28010281 0.92 MAPT (0.96) MAPTALDH1A1RECQLHSD17B10POLB
Diethylamine SCHEMBL28410463 0.89 MAPT (0.89) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL14713993 0.84 MAPT (0.80) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL14537303 0.84 MAPT (0.80) MAPTALDH1A1RECQLHSD17B10POLB
Pyridine SCHEMBL20534855 0.82 MAPT (0.75) MAPTALDH1A1RECQLHSD17B10POLB
SCHEMBL11544937 0.79 LMNA (0.56) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7012895 0.79 LMNA (0.56) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL10489391 0.79 MAPT (0.72) MAPTALDH1A1RECQLHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003799-B2 For agriculture BAYER SAS (FR) 2011-08-23 US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 US disclosed