SCHEMBL9682722

SCHEMBL9682722

CCc1cc(N(C)c2nc3ccccc3o2)c(=O)[nH]c1CO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.39
HDAC6 Q9UBN7 2/20 0.36
MGLL Q99685 1/20 0.35
ELANE P08246 4/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 4/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL9455991 0.77 HCAR2 (0.34) HCAR2
SCHEMBL9449230 0.76 MAPT (0.50) ELANEHCAR2KDM4EMAPTSMN1; SMN2
SCHEMBL9681865 0.74 C1R (0.39) C1RHDAC6ELANEKDM4EHCRTR1
SCHEMBL9682726 0.73 RAB9A (0.39) ELANEHCAR2KDM4EMAPTSMN1; SMN2
SCHEMBL9846095 0.65 MAPT (0.50) ELANEKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL6902562 0.64 MAPT (0.46) ELANEKDM4EHCRTR1MAPTSMN1; SMN2
SCHEMBL14583311 0.64 ELANE (0.51) ELANEMAPTSMN1; SMN2RAB9APPARG
SCHEMBL5674725 0.64 PPARG (0.50) HDAC6HCRTR1HCRTR2MAPTRAB9A
SCHEMBL11330961 0.63 MAPT (0.48) KDM4EHCRTR1MAPTSMN1; SMN2RAB9A
SCHEMBL9846186 0.63 MAPT (0.48) ELANEHCAR2KDM4EMAPTSMN1; SMN2

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-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed