SCHEMBL7623004

SCHEMBL7623004

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.58
KMT2A Q03164 12/20 0.58
MAPT P10636 8/20 0.58
LMNA P02545 3/20 0.58
CYP1A2 P05177 1/20 0.54
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 3/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK14 Q16539 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KDR P35968 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CXCR1 P25024 1/20 0.48

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
SCHEMBL6939610 0.90 MAPT (0.58) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7623001 0.87 MAPT (0.60) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6937560 0.86 MEN1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6939392 0.83 MEN1 (0.79) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6937520 0.83 MEN1 (0.63) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL6941464 0.82 MEN1 (0.68) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6939527 0.81 KMT2A (0.67) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL6944035 0.81 MAPT (0.59) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL6941539 0.81 DDX3X (0.64) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6939929 0.81 MAPT (0.62) MEN1KMT2AMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444691-B1 ANTICHOLESTEROL AGENTS SOLVAKOFARMA, A.S. (SK) 2002-09-03 US disclosed