SCHEMBL339359

SCHEMBL339359

Cc1cccc(C)c1Nc1cccc2ccc(-c3nc4ccccc4s3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
LMNA P02545 6/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
TP53 P04637 7/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL989648 0.74 AR (0.46) TP53KDM4EMAPTKMT2AMEN1
SCHEMBL867080 0.73 RAB9A (0.50) SMN1; SMN2RAB9ANPC1LMNANFKB1
SCHEMBL30466255 0.73 RAB9A (0.50) SMN1; SMN2RAB9ANPC1LMNANFKB1
SCHEMBL339597 0.73 RAB9A (0.49) SMN1; SMN2RAB9ANPC1LMNANFKB1
SCHEMBL2245316 0.70 RAB9A (0.58) SMN1; SMN2RAB9ANPC1LMNANFKB1
SCHEMBL30429916 0.70 RAB9A (0.58) SMN1; SMN2RAB9ANPC1LMNANFKB1
SCHEMBL20855087 0.70 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1LMNANFKB1
SCHEMBL1006314 0.68 AR (0.42) TP53KDM4EMAPTALDH1A1HSD17B10
SCHEMBL3073946 0.68 RAB9A (0.69) SMN1; SMN2RAB9ANPC1LMNANFKB1
SCHEMBL14632640 0.68 ESR1 (0.38) LMNAKDM4EKMT2AMEN1L3MBTL1

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-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