SCHEMBL29336359

SCHEMBL29336359

COc1ccc(N(C)Cc2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PYCR1 P32322 3/20 0.46
ALDH1A1 P00352 3/20 0.46
APLNR P35414 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PARP1 P09874 1/20 0.42
AOC3 Q16853 1/20 0.42
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL19302284 0.91 PYCR1 (0.53) MEN1KMT2AMAPTPYCR1ALDH1A1
SCHEMBL31308090 0.84 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12526817 0.84 ACHE (0.54) MAPTPYCR1ALDH1A1APLNRHTT
SCHEMBL19057672 0.82 LTA4H (0.55) MEN1KMT2APYCR1ALDH1A1APLNR
SCHEMBL14266667 0.82 TSHR (0.57) ALDH1A1LMNAMAPK1NPSR1
SCHEMBL3140679 0.81 MEN1 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3893486 0.81 MAOB (0.51) HTTSMN1; SMN2LMNAAOC3MAOB
SCHEMBL22340768 0.80 CNR2 (0.51) MEN1KMT2AMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL1253767 0.80 MEN1 (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2183541 0.79 PYCR1 (0.46) MEN1KMT2AMAPTPYCR1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed