SCHEMBL27365655

SCHEMBL27365655

COC(=O)C(C)CNc1c(N)cnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
PDE4B Q07343 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TOP2A P11388 2/20 0.38
GAA P10253 1/20 0.38
LRRK2 Q5S007 1/20 0.37
TACR3 P29371 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL10732374 0.82 LRRK2 (0.42) MEN1PKMKMT2AMAPTNPSR1
SCHEMBL4725461 0.82 ACP1 (0.47) MEN1PKMKMT2AMAPTKDM4E
SCHEMBL31197376 0.82 ACP1 (0.47) MEN1PKMKMT2AMAPTKDM4E
SCHEMBL31197374 0.82 ACP1 (0.47) MEN1PKMKMT2AMAPTKDM4E
SCHEMBL27365630 0.81 ALDH1A1 (0.41) MEN1PKMKMT2AMAPTNPSR1
Hydrochloric Acid SCHEMBL5442383 0.80 ACP1 (0.46) MEN1PKMKMT2AMAPTKDM4E
SCHEMBL16250225 0.79 CA1 (0.49) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL19475472 0.76 TOP2A (0.55) MEN1PKMKMT2AMAPTNPSR1
SCHEMBL5616954 0.76 ELANE (0.52) MEN1PKMKMT2AMAPTNPSR1
SCHEMBL4006211 0.75 TOP2A (0.70) MEN1PKMKMT2AMAPTNPSR1

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed