SCHEMBL14434252

SCHEMBL14434252

COC1CC(C(=O)Nc2ccc3c(c2)CCNCC3)N(C(=O)Nc2ccc(Cl)cc2F)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.56
▸ KLKB1 P03952 2/20 0.46
▸ USP30 Q70CQ3 2/20 0.42
▸ CFD P00746 3/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL12371449 0.91 F10 (0.57) F10KLKB1USP30CFDKMT2A
SCHEMBL14434230 0.85 F10 (0.47) F10KLKB1CFDKMT2ANPSR1
SCHEMBL12101325 0.84 F10 (0.51) F10KLKB1CFDSLC2A1
SCHEMBL14434235 0.84 F10 (0.45) F10KLKB1CFDSLC2A1NPSR1
SCHEMBL14434228 0.82 F10 (0.44) F10KLKB1CFDSLC2A1KMT2A
SCHEMBL14434220 0.82 NPC1 (0.47) F10CFDKMT2AALDH1A1NPC1
SCHEMBL12371463 0.82 MELK (0.51) F10KLKB1CFDSLC2A1KMT2A
SCHEMBL14434240 0.82 MELK (0.51) F10KLKB1CFDSLC2A1KMT2A
SCHEMBL14434994 0.80 NPC1 (0.46) F10KLKB1CFDKMT2AALDH1A1
SCHEMBL12101301 0.80 F10 (0.53) F10KLKB1CFDSLC2A1

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-2007093595-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 — — WO disclosed
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