SCHEMBL15330795

SCHEMBL15330795

O=Cc1c[nH]c(-c2ccc(Br)cc2F)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
AMY1A P0DUB6 2/20 0.32
DGAT1 O75907 1/20 0.32
PTGES O14684 1/20 0.32
NMUR2 Q9GZQ4 1/20 0.32
AR P10275 1/20 0.31
GPR35 Q9HC97 1/20 0.31
FPR2 P25090 1/20 0.31
PIM3 Q86V86 4/20 0.31
AKR1B1 P15121 2/20 0.31
AKR1A1 P14550 1/20 0.31
PIM1 P11309 3/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ERN1 O75460 1/20 0.30
S100A4 P26447 1/20 0.30

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
SCHEMBL2556978 0.90 AMY1A (0.40) CYP2A6AMY1APTGESNMUR2PIM3
SCHEMBL30037525 0.86 PIM1 (0.39) AMY1APIM3PIM1
SCHEMBL15331629 0.86 PIM1 (0.39) AMY1APIM3PIM1
SCHEMBL15331999 0.79 IDO1 (0.44) CYP2A6PIM1ERN1
SCHEMBL2556126 0.79 AMY1A (0.51) AMY1AERN1
SCHEMBL3699501 0.78 DCUN1D1 (0.44)
SCHEMBL15331539 0.78 LRRK2 (0.35) PIM3PIM1
SCHEMBL2559174 0.78 AMY1A (0.34) CYP2A6AMY1A
SCHEMBL15332234 0.76 AMY1A (0.49) AMY1ACSNK2A2CSNK2B
SCHEMBL2553963 0.76 AMY1A (0.41) AMY1A

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