SCHEMBL15330815

SCHEMBL15330815

Cc1ccc(-c2[nH]c3ccc([N+](=O)[O-])cc3c2C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NPBWR1 P48145 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47

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
SCHEMBL15332275 0.92 CCNE1 (0.47) CCNE1CDK2MAPTALDH1A1MEN1
SCHEMBL15330463 0.87 MEN1 (0.48) CCNE1CDK2MAPTALDH1A1MEN1
SCHEMBL15332429 0.86 NPBWR1 (0.50) CCNE1CDK2MAPTALDH1A1MEN1
SCHEMBL2559091 0.86 NPBWR1 (0.50) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL15330037 0.84 MMP2 (0.50) CCNE1CDK2MAPTALDH1A1MEN1
SCHEMBL15331998 0.83 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL15332773 0.82 MEN1 (0.48) CCNE1CDK2MAPTALDH1A1MEN1
SCHEMBL15330580 0.81 CTSV (0.57) CCNE1CDK2MAPTALDH1A1MEN1
SCHEMBL15332557 0.81 SMN1; SMN2 (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL29958160 0.81 MAPT (0.54) MAPTALDH1A1MEN1KMT2ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed