SCHEMBL2556416

SCHEMBL2556416

O=Cc1ccc(OCc2cc(Br)cs2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 7/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.45
MGMT P16455 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
VCAM1 P19320 1/20 0.43
TTR P02766 1/20 0.42
ALDH3A1 P30838 2/20 0.40

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
SCHEMBL2558592 0.90 MAPT (0.45) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL29956345 0.82 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL15330861 0.80 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL29957022 0.80 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL2559291 0.79 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2557419 0.79 ALDH1A1 (0.62) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL2555993 0.78 MGMT (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2560367 0.78 TACR2 (0.56) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL4643645 0.76 CTSV (0.57) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL29958389 0.74 RAB9A (0.47) ALDH1A1LMNAMAPTMEN1KMT2A

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