SCHEMBL9751089

SCHEMBL9751089

O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.55
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 2/20 0.48
CTSB P07858 2/20 0.48
HIF1A Q16665 1/20 0.48
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.42
CASP6 P55212 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42

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
SCHEMBL10455742 0.84 GPR35 (0.55) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL218885 0.83 TDP1 (0.63) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL28256134 0.83 TDP1 (0.61) GPR35TDP1TSHRHPGDCYP3A4
SCHEMBL29000830 0.82 GPR35 (0.53) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL4217608 0.82 TDP1 (0.55) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL6248859 0.82 TSHR (0.54) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL145978 0.81 GPR35 (0.67) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL29533001 0.79 GPR35 (0.59) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL28638066 0.79 GPR35 (0.64) GPR35TDP1TSHRSMN1; SMN2TP53
SCHEMBL17512851 0.79 GPR35 (0.64) GPR35TDP1TSHRSMN1; SMN2TP53

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
EP-0305491-A4 SYSTEM FOR ISOLATING AND IDENTIFYING LEUKOCYTES 1991-01-09 EP claimed
EP-0305491-A1 SYSTEM FOR ISOLATING AND IDENTIFYING LEUKOCYTES. COULTER ELECTRONICS (US) 1989-03-08 EP claimed
WO-1988007187-A1 SYSTEM FOR ISOLATING AND IDENTIFYING LEUKOCYTES COULTER ELECTRONICS, INC. (US) 1988-09-22 WO claimed
WO-2013166110-A1 TLR-AGONIST-CONJUGATED ANTIBODY RECRUITING MOLECULES (TLR_ARMS) YALE UNIVERSITY (US) 2013-11-07 WO disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed