SCHEMBL6488489

SCHEMBL6488489

CC(C)(C)N(C(=O)O)C(C)(C)Cc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
RAB9A P51151 1/20 0.40
TSHR P16473 4/20 0.37
USP2 O75604 2/20 0.37
CYP2C19 P33261 5/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
BLM P54132 1/20 0.36
NFKB1 P19838 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4148049 0.81 BLM (0.53) TSHRCYP2C19CYP3A4MEN1KMT2A
SCHEMBL227064 0.80 BLM (0.37) RAB9ATSHRCYP2C19CYP3A4MEN1
SCHEMBL17371937 0.74 MEN1 (0.50) RAB9ATSHRUSP2CYP2C19CYP3A4
SCHEMBL1205421 0.73 MAOA (0.42) TSHRCYP2C19CYP3A4CYP1A2MEN1
SCHEMBL6643278 0.73 FDPS (0.47) FDPSRAB9ATSHRMEN1KMT2A
SCHEMBL3680427 0.73 FDPS (0.47) FDPSRAB9ATSHRMEN1KMT2A
SCHEMBL3236715 0.72 FDPS (0.53) FDPSRAB9ATSHRCYP2C19CYP3A4
SCHEMBL8266516 0.70 BLM (0.66) FDPSRAB9ATSHRUSP2CYP2C19
SCHEMBL31036573 0.70 BLM (0.66) FDPSRAB9ATSHRUSP2CYP2C19
SCHEMBL19921435 0.70 CYP2C9 (0.49) RAB9ATSHRUSP2CYP2C19CYP3A4

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
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed