SCHEMBL741469

SCHEMBL741469

COCCCNc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
LMNA P02545 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
ALPG P10696 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
PKM P14618 1/20 0.61
ALDH1A1 P00352 5/20 0.54
KAT2B Q92831 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.47
HTR6 P50406 1/20 0.47
HCAR3 P49019 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
SCHEMBL8313477 0.85 KAT2B (0.69) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL739095 0.85 MAPT (0.64) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL11048929 0.85 MAPT (0.65) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL7745956 0.84 LMNA (0.57) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL6474886 0.84 LMNA (0.57) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL1046670 0.84 LMNA (0.57) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL7767318 0.82 MAPT (0.62) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL12555416 0.82 MAPT (1.00) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL4743774 0.81 ALDH1A1 (0.67) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL2220740 0.81 MAPT (0.59) MAPTLMNASMN1; SMN2ALPGTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed