SCHEMBL2558728

SCHEMBL2558728

O=Cc1c(Cl)nn(-c2cccc([N+](=O)[O-])c2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABHD16A O95870 1/20 0.45
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPN P05981 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL15331490 0.87 SMN1; SMN2 (0.53) ALDH1A1POLBMAPTRAB9AHPGD
SCHEMBL2560438 0.84 RAB9A (0.50) ALDH1A1POLBMAPTRAB9AHPGD
SCHEMBL15330219 0.84 PDE4B (0.45) ALDH1A1POLBMAPTRAB9AHPGD
SCHEMBL15331175 0.83 MAPT (0.46) ALDH1A1POLBMAPTRAB9AMEN1
SCHEMBL15331179 0.82 KMT2A (0.46) ALDH1A1POLBMAPTRAB9AHPGD
SCHEMBL2554295 0.81 MAPT (0.44) ALDH1A1POLBMAPTRAB9AHPGD
SCHEMBL2559659 0.81 MAPT (0.43) ALDH1A1POLBMAPTRAB9AHPGD
SCHEMBL2560270 0.81 MAPT (0.46) ALDH1A1POLBMAPTRAB9AHPGD
SCHEMBL15330924 0.79 MAPT (0.51) ALDH1A1MAPTRAB9AHPGDMEN1
SCHEMBL2556769 0.78 MAPT (0.43) ALDH1A1POLBMAPTRAB9AHPGD

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed