SCHEMBL25912031

SCHEMBL25912031

CC(C)c1ccc(-c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.39
QPCTL Q9NXS2 3/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP12 P39900 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
PTGS2 P35354 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ACVR1 Q04771 1/20 0.36
PRKCI P41743 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
SCHEMBL5526838 0.86 MAPT (0.42) QPCTMAPTKDM4EALDH1A1APEX1
SCHEMBL31143361 0.84 MAPT (0.50) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL6008269 0.84 MAPT (0.50) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL13373351 0.81 ALDH1A1 (0.46) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL13373486 0.81 PARP1 (0.46) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL2457365 0.79 QPCT (0.50) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL28178021 0.77 PARP1 (0.46) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL7021134 0.77 QPCT (0.49) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL28178019 0.77 PSMD11 (0.49) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL25912038 0.77 PARP1 (0.46) QPCTQPCTLMAPTKDM4EALDH1A1

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-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed