SCHEMBL2557968

SCHEMBL2557968

OB(O)c1cc(C(F)(F)F)cnc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
PLAU P00749 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.32
MGLL Q99685 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL29954721 0.78 ADRA2A (0.33) PLAUKMT2A
SCHEMBL29957490 0.78 AGBL2 (0.40) ALDH1A1KDM4ESMN1; SMN2POLBPLAU
SCHEMBL3108377 0.78 AGBL2 (0.40) ALDH1A1KDM4ESMN1; SMN2POLBPLAU
SCHEMBL2552695 0.77 MGLL (0.43) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL21352400 0.77 GPBAR1 (0.40) ALDH1A1KDM4EPKMMGLLLMNA
SCHEMBL29955314 0.75 AGBL2 (0.41) ALDH1A1KDM4ESMN1; SMN2POLBPLAU
SCHEMBL2559651 0.74 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2POLBPLAU
SCHEMBL2559916 0.74 MGLL (0.46) ALDH1A1MGLL
SCHEMBL15332895 0.73 DHODH (0.40) ALDH1A1KDM4EMAPK1
SCHEMBL1922790 0.73 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2POLBPLAU

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