SCHEMBL8301169

SCHEMBL8301169

O=C(Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
GAA P10253 1/20 0.55
PTPN1 P18031 1/20 0.55
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MITF O75030 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 3/20 0.53
CASP6 P55212 1/20 0.53
SNCA P37840 1/20 0.52
AURKB Q96GD4 1/20 0.52
CXCR2 P25025 1/20 0.52

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
SCHEMBL1663381 0.91 RAB9A (0.59) MEN1KMT2APTPN1MAPTLMNA
SCHEMBL18147991 0.87 MEN1 (0.67) MEN1KMT2AGAAMAPTLMNA
SCHEMBL1455800 0.87 KMT2A (0.73) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL8303947 0.85 ALDH1A1 (0.71) MEN1KMT2AGAAMAPTLMNA
SCHEMBL4728442 0.85 NPC1 (0.58) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL1665798 0.82 MAPT (0.59) MEN1KMT2AGAAMAPTLMNA
SCHEMBL14221428 0.82 KMT2A (0.59) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL25394468 0.81 MEN1 (0.58) MEN1KMT2AGAAMAPTLMNA
SCHEMBL8711539 0.80 KMT2A (0.71) MEN1KMT2AGAAPTPN1MAPT
SCHEMBL7142315 0.80 KMT2A (0.71) MEN1KMT2AGAAPTPN1MAPT

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
EP-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed