SCHEMBL339597

SCHEMBL339597

Brc1cccc2ccc(-c3nc4ccccc4s3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.49
NPC1 O15118 10/20 0.49
KDM4E B2RXH2 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
TP53 P04637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TSHR P16473 1/20 0.47
BACE1 P56817 1/20 0.44
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43

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
SCHEMBL867080 0.82 RAB9A (0.50) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL30466255 0.82 RAB9A (0.50) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL2245316 0.79 RAB9A (0.58) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL30429916 0.79 RAB9A (0.58) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL3073946 0.76 RAB9A (0.69) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL8617042 0.74 KDM4E (0.64) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL30353950 0.74 KDM4E (0.64) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL339359 0.73 SMN1; SMN2 (0.48) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL827403 0.72 RAB9A (0.67) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL15229057 0.72 PARP1 (0.54) RAB9ANPC1KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009369-A1 CATALYSTS BASED ON QUINOLINE PRECURSORS BASELL POLYOLEFINE GMBG (DE) 2012-01-19 WO disclosed
US-20120016092-A1 Catalysts based on quinoline precursors BASELL POLYOLEFINE GMBH (DE) 2012-01-19 US disclosed
US-20120016092-A1 Catalysts based on quinoline precursors BASELL POLYOLEFINE GMBH (DE) 2012-01-19 US disclosed