SCHEMBL30974271

SCHEMBL30974271

CN1CCN(c2ccc3c(c2)nc(I)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MET P08581 2/20 0.41
GPR119 Q8TDV5 6/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 1/20 0.38
ABL1 P00519 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
HTR6 P50406 2/20 0.38
PDK2 Q15119 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
SCHEMBL27423842 1.00 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27423835 0.87 KDM4E (0.50) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13291552 0.79 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30974230 0.79 KDM4E (0.39) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30974281 0.77 MEN1 (0.46) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27423824 0.77 MEN1 (0.46) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL948951 0.75 HTR6 (0.47) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27423871 0.75 KDM4E (0.56) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20983873 0.72 HTR3A (0.48) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL383293 0.71 TMEM97 (0.62) GPR119ALDH1A1LMNAMAPTPDK2

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-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed