SCHEMBL30729918

SCHEMBL30729918

CCCCOC(=O)N1CCC(c2csc3ncnc(Cl)c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TSHR P16473 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MMP13 P45452 2/20 0.35

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
SCHEMBL27308585 0.82 GPR119 (0.47) KMT2AMEN1POLBGPR119MAPT
SCHEMBL27097003 0.80 MAPT (0.42) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL27096912 0.77 CNR1 (0.39) SMN1; SMN2LMNAPOLBGPR119ALDH1A1
SCHEMBL29898066 0.74 SOS1 (0.41) SMN1; SMN2LMNAPOLBGPR119MAPT
SCHEMBL3806633 0.71 GPR119 (0.54) GPR119
SCHEMBL4831481 0.71 L3MBTL1 (0.46) SMN1; SMN2LMNAPOLBGPR119MAPT
SCHEMBL2447286 0.70 POLB (0.44) SMN1; SMN2LMNAPOLBGPR119ALDH1A1
SCHEMBL2454067 0.70 ALDH1A1 (0.43) KMT2ASMN1; SMN2LMNAPOLBMAPT
SCHEMBL27308581 0.70 GPR119 (0.46) GPR119MAPT
SCHEMBL27310188 0.70 KDM4E (0.46) GPR119MAPTHTT

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed