SCHEMBL24220430

SCHEMBL24220430

Nc1nc(C(=O)Nc2cc(N3CCCCC3)ccc2Br)co1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ PAICS P22234 11/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KLF5 Q13887 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CSF1R P07333 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ IP6K1 Q92551 1/20 0.39

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
SCHEMBL20339036 0.89 PAICS (0.42) PAICS
SCHEMBL20339057 0.89 PAICS (0.53) PAICSHDAC1
SCHEMBL24220529 0.89 PAICS (0.49) PAICSNPC1RAB9ASMN1; SMN2
SCHEMBL20352014 0.83 PAICS (0.39) PAICS
SCHEMBL21571666 0.82 PAICS (0.41) PAICS
SCHEMBL20340330 0.81 PAICS (0.45) PAICS
SCHEMBL21571640 0.81 PAICS (0.42) PAICS
SCHEMBL20339062 0.81 PAICS (0.45) PAICSHDAC1
SCHEMBL24220491 0.81 PAICS (0.42) PAICS
SCHEMBL20352151 0.81 PAICS (0.42) PAICS

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
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 — — EP disclosed
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