SCHEMBL31305166

SCHEMBL31305166

Cc1c(Cl)cc([N+](=O)[O-])cc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL29130767 0.83 MAPT (0.58) PDK1PDK2PDK3PDK4MAPT
SCHEMBL12031278 0.83 PDK1 (0.63) PDK1PDK2PDK3PDK4MAPT
SCHEMBL19175453 0.79 LMNA (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4203555 0.79 NPC1 (0.41) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL19150666 0.79 CYP2C19 (0.43) PDK1PDK2PDK3PDK4MAPT
SCHEMBL30738210 0.79 CYP2C19 (0.43) PDK1PDK2PDK3PDK4MAPT
SCHEMBL29534282 0.78 HPGD (0.61) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL14691594 0.78 HPGD (0.61) MAPTSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL31305103 0.78 P2RX7 (0.39) ALDH1A1
SCHEMBL13412121 0.77 CYP2C19 (0.44) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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-2024238872-A2 ISOINDOLINONE-GLUTARIMIDE ANTIBODY CONJUGATES, AND USES THEREOF FIREFLY BIO, INC. (US) 2024-11-21 WO disclosed