SCHEMBL9090455

SCHEMBL9090455

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCn1cnc(COC(=S)Oc2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL9091441 0.83 USP2 (0.34) USP2TSHRSMN1; SMN2NPC1NFKB1
SCHEMBL9090872 0.81 KMT2A (0.32) USP2SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL9282862 0.81 NPC1 (0.33) USP2TSHRSMN1; SMN2NPC1NFKB1
SCHEMBL9090532 0.77 KMT2A (0.34) USP2TSHRSMN1; SMN2NPC1NFKB1
SCHEMBL8552583 0.73 USP2 (0.33) USP2TSHRSMN1; SMN2NPC1NFKB1
SCHEMBL9090244 0.71 HDAC6 (0.35) TSHRKDM4E
SCHEMBL8551474 0.71 LTB4R (0.37) USP2TSHRSMN1; SMN2NPC1NFKB1
SCHEMBL8552582 0.71
SCHEMBL9091098 0.70 KDM4E (0.50) USP2TSHRSMN1; SMN2NPC1NFKB1
SCHEMBL8603712 0.69 NR1I2 (0.37) USP2TSHRSMN1; SMN2NPC1NFKB1

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-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