SCHEMBL11736141

SCHEMBL11736141

Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ CD40 P25942 2/20 0.56
▸ CD40LG P29965 2/20 0.56
▸ MAPT P10636 5/20 0.56
▸ ATM Q13315 1/20 0.55
▸ MITF O75030 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ CASP3 P42574 2/20 0.54
▸ CASP2 P42575 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ CASP8 Q14790 1/20 0.54
▸ NT5E P21589 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL10887712 0.92 CD40 (0.56) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL394298 0.85 MEN1 (0.60) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11409686 0.84 MAPT (0.56) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10957199 0.83 CD40 (0.56) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL22003338 0.83 MEN1 (0.56) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL17491043 0.83 KMT2A (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10703629 0.82 NT5E (0.65) MEN1KMT2AMAPTATMNT5E
SCHEMBL8673667 0.82 KCNK3 (0.54) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11433801 0.81 CD40 (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL14418594 0.81 ATM (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1

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-4006130-A COTTON, REGENERATED CELLULOSE, LEATHER, PAPER BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 — — US disclosed
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