SCHEMBL2431182

SCHEMBL2431182

CC(C)N(c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)s2)sc1OC(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.35
ACKR3 P25106 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR1F P30939 4/20 0.32
P2RY14 Q15391 1/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 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
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 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
SCHEMBL2431179 0.89 KDM4E (0.35) ADORA2BACKR3ALDH1A1HPGDTP53
SCHEMBL2435967 0.84 NPSR1 (0.39) ALDH1A1TP53KDM4EKMT2ANPC1
SCHEMBL2433596 0.84 MAPT (0.36) ALDH1A1TP53NPC1MAPTRAB9A
SCHEMBL3814842 0.83 IKBKB (0.38) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2433357 0.83 GRM4 (0.32)
SCHEMBL2879446 0.77 GRM5 (0.36) KDM4EKMT2AMAPTMEN1
SCHEMBL3807290 0.77 HDAC6 (0.32) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3807257 0.76 KDM4E (0.39) ALDH1A1HPGDKDM4EKMT2ANPC1
SCHEMBL2494792 0.76 KDM4E (0.47) ACKR3HPGDTP53KDM4EKMT2A
SCHEMBL2494789 0.76 KDM4E (0.47) ACKR3HPGDTP53KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP claimed