SCHEMBL16386084

SCHEMBL16386084

CCOc1ccccc1NC(=O)c1ccc(C)c([S+]([O-])Nc2ccc(C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ AHR P35869 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ P4HTM Q9NXG6 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PTK2 Q05397 1/20 0.47
▸ MRGPRX1 Q96LB2 1/20 0.46

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
SCHEMBL29698008 0.77 MAPT (0.61) NPC1RAB9AAHRMEN1KMT2A
SCHEMBL16353693 0.77 MAPT (0.61) NPC1RAB9AAHRMEN1KMT2A
SCHEMBL16386143 0.74 TDP1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2614738 0.71 KMT2A (0.61) NPC1GAAMEN1KMT2APOLB
SCHEMBL11853387 0.71 KMT2A (0.78) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL8970981 0.70 PTK2 (0.70) NPC1RAB9AGAAAHRMEN1
SCHEMBL29870304 0.70 MAPT (0.76) NPC1RAB9AGAAAHRMEN1
SCHEMBL20228918 0.70 MAPT (0.76) NPC1RAB9AGAAAHRMEN1
SCHEMBL7300821 0.70 RAB9A (0.66) NPC1RAB9AGAAAHRMEN1
SCHEMBL12172813 0.69 CREBBP (0.52) NPC1RAB9AGAAAHRMEN1

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
WO-2015004212-A1 INHIBITOR OF NEUROPILIN AND USE THEREOF FOR THE TREATMENT OF NEUROPILIN-RELATED DISEASES TRAGEX PHARMA (FR) 2015-01-15 — — WO disclosed
EP-2823816-A1 Inhibitors of Neuropilin and use thereof for the treatment of Neuropilin-related diseases Tragex Pharma (FR) 2015-01-14 — — EP disclosed
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