SCHEMBL30333314

SCHEMBL30333314

c1ccc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TNKS O95271 3/20 0.41
▸ TNKS2 Q9H2K2 3/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MAPT P10636 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ KRAS P01116 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL18370214 1.00 MEN1 (0.43) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18017759 0.98 MEN1 (0.45) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18017854 0.98 MEN1 (0.45) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18017848 0.98 MEN1 (0.45) MEN1KMT2AATMTNKSTNKS2
SCHEMBL16902239 0.97 MEN1 (0.44) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18017815 0.97 MEN1 (0.44) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18017760 0.97 MEN1 (0.44) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18017762 0.97 MEN1 (0.44) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18017908 0.97 MEN1 (0.44) MEN1KMT2AATMTNKSTNKS2
SCHEMBL18158403 0.97 MEN1 (0.48) MEN1KMT2AATMTNKSTNKS2

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-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 — — WO disclosed
Send feedback