SCHEMBL4599566

SCHEMBL4599566

Brc1ccc(-c2c[c]ccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.38
METAP2 P50579 1/20 0.37
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL231750 0.81 ASIC3 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2753136 0.80 GRM5 (0.31)
SCHEMBL4590373 0.80 L3MBTL1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4591123 0.80 RAB9A (0.40) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL5534502 0.80 KMT2A (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9699617 0.80 MAPT (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2752763 0.79 METAP2 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTGAA
SCHEMBL606773 0.79 LMNA (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1201977 0.77 CYP11B2 (0.44) GAAMAOB
SCHEMBL5540994 0.76 CLK4 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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
EP-1909775-A2 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES Onconova Therapeutics, Inc. (US) 2008-04-16 EP disclosed
WO-2007016201-A2 FORMULATION OF RADIOPROTECTIVE α, β UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS, INC. (US) 2007-02-08 WO disclosed