SCHEMBL9525323

SCHEMBL9525323

O=[N+]([O-])c1cc(Cn2ccnc2)ccc1NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP19A1 P11511 2/20 0.50
MAPT P10636 5/20 0.49
MAPK1 P28482 4/20 0.49
HCAR3 P49019 3/20 0.49
WNK1 Q9H4A3 2/20 0.47
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL10700938 0.92 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27267487 0.81 CYP11B1 (0.48) CYP19A1MAPTCYP11B1CYP11B2
SCHEMBL10579958 0.81 ALDH1A1 (0.67) ALDH1A1KMT2ALMNASMN1; SMN2CYP19A1
SCHEMBL2033579 0.80 MAPK1 (0.60) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9662249 0.79 ALDH1A1 (0.51) ALDH1A1KMT2ALMNASMN1; SMN2CYP19A1
SCHEMBL10581180 0.77 ALDH1A1 (0.61) ALDH1A1KMT2ALMNASMN1; SMN2CYP19A1
SCHEMBL1924259 0.77 HCAR3 (0.64) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10580633 0.76 CYP19A1 (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14754098 0.75 HCAR3 (0.61) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10577576 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed