SCHEMBL9679489

SCHEMBL9679489

CN(C)c1ccc(C(=O)C2(N(C)C)CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
GFER P55789 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL9679930 0.82 LMNA (0.42) HPGDRAB9ANPC1
SCHEMBL10458558 0.81 CES2 (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9679446 0.72 MAPT (0.47) ALDH1A1MAPTHPGDGFERKDM4E
SCHEMBL9679919 0.70 MAPT (0.48) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL5111869 0.70 CTSL (0.61) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL194888 0.68 RAB9A (0.83) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL274966 0.68 ALDH1A1 (1.00) ALDH1A1MAPTHPGDRAB9ANPC1
Michler'S Ketone SCHEMBL36517 0.68 ALDH1A1 (1.00) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL10722331 0.68 AKR1C1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11161896 0.67 ALDH1A1 (0.56) ALDH1A1MAPTHDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed