SCHEMBL22809588

SCHEMBL22809588

Cc1cc(C(=O)O)nc(NC(=O)C2=CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
RECQL P46063 2/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2713871 0.79 CYP1A2 (0.58) LMNARECQLKMT2AMAPTKDM4E
SCHEMBL2713671 0.76 ADORA1 (0.51) KMT2AMAPTKDM4EMEN1POLB
SCHEMBL1180441 0.75 MAPT (0.44) LMNARECQLKMT2AMAPTKDM4E
SCHEMBL2715069 0.75 TSHR (0.55) LMNARECQLKMT2AMAPTKDM4E
SCHEMBL2714755 0.75 ADORA1 (0.51) LMNARECQLKMT2AMAPTALDH1A1
SCHEMBL22809648 0.74 ADORA1 (0.53) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL18266209 0.74 MAPT (0.39) LMNARECQLKMT2AMAPTKDM4E
SCHEMBL18266173 0.73 MAPT (0.41) LMNARECQLKMT2AMAPTKDM4E
SCHEMBL18266634 0.73 MAPT (0.44) LMNARECQLKMT2AMAPTKDM4E
SCHEMBL18266606 0.72 MAPT (0.38) LMNARECQLKMT2AMAPTKDM4E

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-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed