SCHEMBL7095935

SCHEMBL7095935

O=[N+]([O-])c1ccccc1CCNc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
MAPT P10636 7/20 0.63
MAPK1 P28482 6/20 0.63
KMT2A Q03164 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
MEN1 O00255 2/20 0.63
HTT P42858 2/20 0.63
TSHR P16473 1/20 0.53
ALDH3A1 P30838 1/20 0.52
L3MBTL1 Q9Y468 5/20 0.50
CASP7 P55210 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
GAA P10253 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
SCHEMBL11151033 0.89 ALDH3A1 (0.56) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL29546539 0.84 ALDH3A1 (0.66) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL11745238 0.84 ALDH3A1 (0.66) ALDH1A1MAPTMAPK1KMT2ATDP1
Formic Acid SCHEMBL28141504 0.82 MAPT (0.50) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL28141500 0.81 ALDH3A1 (0.46) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL7167935 0.79 KAT2B (0.69) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL3202573 0.79 ALDH1A1 (0.72) ALDH1A1KMT2ATDP1MEN1HTT
SCHEMBL5108066 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL20592077 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1TSHRALDH3A1
SCHEMBL29389796 0.78 NOX4 (0.57) ALDH1A1MAPTMAPK1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086892-A1 INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2022-04-28 WO disclosed
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed
EP-0009800-B1 4-PHENYL-1,3-BENZODIAZEPINES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THE COMPOUNDS FOR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-23 EP disclosed