SCHEMBL24140752

SCHEMBL24140752

COc1cc(-c2nc3cc(F)ccc3s2)cc(N)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.66
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
ILK Q13418 3/20 0.46
F2RL3 Q96RI0 1/20 0.45
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
HCRTR1 O43613 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL25877004 0.89 AHR (0.70) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL24140755 0.87 AHR (0.67) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4802899 0.82 AHR (0.76) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL25876975 0.82 AHR (0.67) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4803129 0.81 AHR (0.79) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30307425 0.80 AHR (1.00) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4797786 0.80 AHR (1.00) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30288215 0.80 AHR (1.00) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4803017 0.79 AHR (0.79) AHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11188660 0.77 AHR (0.56) AHRALDH1A1MAPTSMN1; SMN2KDM4E

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
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed