SCHEMBL11554160

SCHEMBL11554160

CNc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 6/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GPR35 Q9HC97 2/20 0.53
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HIF1A Q16665 1/20 0.48
HCAR3 P49019 1/20 0.47
TXNRD1 Q16881 1/20 0.47

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
SCHEMBL365880 0.85 MAPT (0.60) MAPTKMT2AALDH1A1HPGDGPR35
SCHEMBL7996823 0.84 MAPT (0.64) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1131511 0.81 ALDH1A1 (0.62) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL978709 0.81 TSHR (0.62) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL2614942 0.81 TDP1 (0.58) MAPTKMT2AALDH1A1RECQLHSD17B10
SCHEMBL30692252 0.81 TDP1 (0.58) MAPTKMT2AALDH1A1RECQLHSD17B10
SCHEMBL8616062 0.81 MAPT (0.55) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL9387603 0.81 TDP1 (0.55) MAPTKMT2AALDH1A1HPGDGPR35
SCHEMBL29702896 0.81 TDP1 (0.55) MAPTKMT2AALDH1A1HPGDGPR35
SCHEMBL15177817 0.79 MAPT (0.54) MAPTKMT2AALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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