SCHEMBL2557366

SCHEMBL2557366

O=Cc1ccc(OCC(=O)c2sccc2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2555178 0.84 MAOA (0.47) ALDH1A1POLBKDM4EIDO1TDO2
SCHEMBL2557453 0.80 RAB9A (0.41) ALDH1A1POLBKMT2AMAPTSMN1; SMN2
SCHEMBL29953910 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ACYP2A6MAPT
SCHEMBL349060 0.70 ALOX15 (0.61) ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL15164606 0.70 MAPT (0.60) ALDH1A1KDM4EKMT2AMAPK1MAPT
SCHEMBL15979697 0.69 IDO1 (0.49) ALDH1A1POLBKDM4EKMT2AIDO1
SCHEMBL246234 0.69 ALDH1A1 (0.54) ALDH1A1POLBKDM4EKMT2AMAPK1
SCHEMBL20391698 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ACYP2A6MAPT
SCHEMBL12517065 0.69 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2ACYP2A6MAPT
SCHEMBL12477808 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ACYP2A6MAPT

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