SCHEMBL9711693

SCHEMBL9711693

Cc1ccc([N+](=O)[O-])c(C(=O)C2C(=O)CC(c3ccccc3)NC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
KCNMA1 Q12791 1/20 0.34
HPD P32754 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9711701 0.88 ALDH1A1 (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9711636 0.87 KMT2A (0.41) MEN1KMT2AALDH1A1HPD
SCHEMBL9711524 0.82 MAPT (0.42) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9711609 0.81 HPD (0.40) ALDH1A1LMNAHPD
SCHEMBL9711509 0.81 HPGD (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9711510 0.81 MAPT (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9711666 0.80 HPGD (0.45) NPC1MAPTCYP3A4POLBKCNMA1
SCHEMBL9711506 0.79 HPD (0.61) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9711646 0.77 ITGB1 (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL9711681 0.77 TSHR (0.41) MEN1KMT2AALDH1A1MAPTLMNA

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-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed