SCHEMBL2556548

SCHEMBL2556548

O=C(Nc1cccc(F)c1)c1ccc(B(O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
HPGD P15428 2/20 0.71
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
ESR1 P03372 2/20 0.64
ESRRG P62508 2/20 0.64
ESR2 Q92731 2/20 0.64
KCNK3 O14649 3/20 0.63
KCNK9 Q9NPC2 2/20 0.60
TSHR P16473 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
MAOB P27338 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL2555750 0.86 NPC1 (0.69) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL28185509 0.84 NPC1 (0.76) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL23447715 0.83 NPC1 (1.00) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL95403 0.83 NPC1 (0.73) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL18941291 0.83 NPC1 (0.73) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL4773188 0.82 PTPN1 (0.69) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL387376 0.82 TRPV1 (0.81) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL7301550 0.80 KCNK9 (0.73) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL2358354 0.80 MEN1 (1.00) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL29489337 0.79 NPC1 (0.73) NPC1RAB9AHPGDMEN1KMT2A

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