SCHEMBL29490222

SCHEMBL29490222

C[C@H](Nc1ncnc2sccc12)c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.76
▸ TNF P01375 1/20 0.76
▸ NOD1 Q9Y239 1/20 0.76
▸ EGFR P00533 13/20 0.54
▸ FDPS P14324 1/20 0.51
▸ GALR3 O60755 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29490321 1.00 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862834 1.00 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862471 1.00 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862425 1.00 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862473 0.88 RAB9A (0.78) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862863 0.88 RAB9A (0.78) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862865 0.86 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862444 0.86 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862521 0.86 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS
SCHEMBL22862813 0.86 RAB9A (0.76) RAB9ATNFNOD1EGFRFDPS

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-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
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