SCHEMBL5978453

SCHEMBL5978453

O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.79
▸ KMT2A Q03164 7/20 0.79
▸ ALDH1A1 P00352 3/20 0.79
▸ KDM4E B2RXH2 2/20 0.79
▸ POLB P06746 2/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ ELANE P08246 1/20 0.65
▸ MAPK10 P53779 1/20 0.64
▸ MAPT P10636 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61

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
SCHEMBL17354704 0.82 KMT2A (0.78) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7193110 0.81 MEN1 (0.66) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL6673184 0.81 ALDH1A1 (0.76) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL27829159 0.80 ALDH1A1 (0.82) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL692321 0.80 KMT2A (1.00) MEN1KMT2AALDH1A1SMN1; SMN2ELANE
SCHEMBL29633854 0.80 KMT2A (1.00) MEN1KMT2AALDH1A1SMN1; SMN2ELANE
SCHEMBL4308051 0.79 TP53 (0.55) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8016999 0.79 ALDH1A1 (0.73) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL29576857 0.78 MEN1 (1.00) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL692792 0.78 MEN1 (1.00) MEN1KMT2AALDH1A1KDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4707297-A Removable guidepath for automated guidance vehicles BELL & HOWELL COMPANY (US) 1987-11-17 — — US claimed
EP-1162936-A4 BODY COATING COMPOSITION PYRAMID PRODUCTIONS INC (US) 2006-01-04 — — EP disclosed
EP-1162936-A1 BODY COATING COMPOSITION Pyramid Productions Inc. (US) 2001-12-19 — — EP disclosed
WO-2000056274-A1 BODY COATING COMPOSITION PYRAMID PRODUCTIONS, INC. (US) 2000-09-28 — — WO disclosed
US-5896297-A Robotube delivery system VALERINO SR FRED M (US) 1999-04-20 — — US disclosed
US-4707297-A Removable guidepath for automated guidance vehicles BELL & HOWELL COMPANY (US) 1987-11-17 — — US disclosed
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