SCHEMBL9237438

SCHEMBL9237438

O=C(NCc1cccc(Cl)c1Cl)C(CCc1ccccc1)NCCc1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.40
▸ PSMB5 P28074 11/20 0.40
▸ CTSG P08311 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ NFKB1 P19838 3/20 0.37
▸ NFKB2 Q00653 3/20 0.37
▸ RELA Q04206 3/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL9238392 0.82 GGT1 (0.47) —
SCHEMBL9233436 0.81 ANPEP (0.40) PSMB5
SCHEMBL9238002 0.80 ALDH1A1 (0.40) —
SCHEMBL9234753 0.76 P2RX7 (0.43) —
SCHEMBL9239495 0.75 SMN1; SMN2 (0.43) —
SCHEMBL9238649 0.73 ALDH1A1 (0.43) L3MBTL1
SCHEMBL1667210 0.72 GGT1 (0.42) —
SCHEMBL1667207 0.72 GGT1 (0.42) —
SCHEMBL7622435 0.71 CTSC (0.42) —
SCHEMBL3217867 0.71 CTSC (0.42) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 — — EP claimed
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 — — EP disclosed
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