SCHEMBL8552583

SCHEMBL8552583

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC(OC(=S)Oc1ccccc1)c1nccn1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR1 O14842 2/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL8555468 0.80 L3MBTL1 (0.33) USP2TSHRALDH1A1NPC1NFKB1
SCHEMBL8552576 0.74 ALOX5 (0.31)
SCHEMBL9090455 0.73 USP2 (0.35) USP2TSHRALDH1A1NPC1NFKB1
SCHEMBL8557108 0.72 L3MBTL1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9091441 0.72 USP2 (0.34) USP2TSHRALDH1A1NPC1NFKB1
SCHEMBL9282862 0.70 NPC1 (0.33) USP2TSHRNPC1NFKB1RAB9A
SCHEMBL8557109 0.69 KMT2A (0.36) USP2NPC1NFKB1RAB9ANFKB2
SCHEMBL9090421 0.69 KMT2A (0.43) USP2TSHRALDH1A1NPC1NFKB1
SCHEMBL8551826 0.68 FFAR4 (0.44) USP2TSHRALDH1A1KMT2AFFAR1
SCHEMBL8665035 0.67 RIPK1 (0.34) USP2ALDH1A1MAPTFFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed