SCHEMBL11266259

SCHEMBL11266259

O=C(Nc1ccccc1)c1ccccc1C(=O)Nc1ccccc1.[Na].[Na]

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.83
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
HPGD P15428 2/20 0.73
TP53 P04637 2/20 0.73
KDM4E B2RXH2 1/20 0.73
LMNA P02545 1/20 0.73
HTT P42858 1/20 0.73
HSD17B10 Q99714 1/20 0.73
TDP1 Q9NUW8 3/20 0.70
METAP2 P50579 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALOX12 P18054 1/20 0.68
CHRNB2 P17787 1/20 0.68
CHRNB4 P30926 1/20 0.68
CHRNA3 P32297 1/20 0.68
CHRNA4 P43681 1/20 0.68
BCAT2 O15382 2/20 0.63
POLB P06746 1/20 0.63

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
SCHEMBL437231 0.98 ALDH1A1 (0.87) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL11266257 0.95 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL45299 0.91 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL1991348 0.91 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL1991352 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL18784684 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL29024967 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL9853958 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL16634926 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDTP53
Salicylanilide SCHEMBL5801957 0.87 MEN1 (0.96) ALDH1A1MEN1KMT2AHPGDTP53

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-4313892-A VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-02-02 US disclosed
US-4248805-A Vulcanizable rubber compositions containing N-(sulfenyl) phthalamides as scorch inhibitors MONSANTO COMPANY (US) 1981-02-03 US disclosed