SCHEMBL15330352

SCHEMBL15330352

O=Cc1cnn(-c2cccc(Br)c2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.45
ALDH1A1 P00352 4/20 0.39
MGLL Q99685 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.36
GSK3B P49841 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RPA1 P27694 1/20 0.33
MAT2A P31153 1/20 0.33

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
SCHEMBL15332027 0.86 NPC1 (0.48) NPBWR1NPC1RAB9APAX8ATM
SCHEMBL15332981 0.85 NPBWR1 (0.41) NPBWR1ALDH1A1MGLLNPC1RAB9A
SCHEMBL10340588 0.82 NPC1 (0.56) NPBWR1ALDH1A1NPC1RAB9APAX8
SCHEMBL15332373 0.82 MAPK14 (0.43) ALDH1A1MGLLNPC1RAB9APAX8
SCHEMBL15331047 0.81 NPC1 (0.42) NPBWR1ALDH1A1NPC1RAB9APAX8
SCHEMBL3321144 0.81 RAB9A (0.49) NPBWR1ALDH1A1NPC1RAB9APAX8
SCHEMBL29955120 0.79 NPC1 (0.51) NPBWR1NPC1RAB9AMEN1KMT2A
SCHEMBL15330816 0.78 MAPT (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15331277 0.78 NPC1 (0.46) NPBWR1NPC1RAB9APAX8ATM
SCHEMBL15331298 0.77 LMNA (0.43) NPBWR1ALDH1A1NPC1RAB9AKDM4E

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 5 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