SCHEMBL21770403

SCHEMBL21770403

Cc1cc(C(=O)Nc2ccc(CN)cc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ PLG P00747 3/20 0.53
▸ PLAT P00750 1/20 0.53
▸ KLKB1 P03952 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LOX P28300 8/20 0.52
▸ LOXL2 Q9Y4K0 8/20 0.52
▸ KLK1 P06870 2/20 0.51
▸ KLK6 Q92876 2/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51
▸ SMYD3 Q9H7B4 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL24891990 0.89 ALDH1A1 (0.52) PLAUALDH1A1NPC1LMNARAB9A
SCHEMBL22441340 0.81 MEN1 (0.59) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL15727556 0.81 LMNA (0.67) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL22457821 0.79 NPC1 (0.57) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL4163710 0.79 HDAC1 (0.54) PLAUALDH1A1PLGPLATKLKB1
SCHEMBL22441225 0.78 RAB9A (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28200509 0.78 MEN1 (0.74) PLAUALDH1A1PLGPLATKLKB1
SCHEMBL24892341 0.78 S1PR1 (0.65) PLAUPLGKLKB1NPC1RAB9A
SCHEMBL24891739 0.77 PLG (0.64) PLAUPLGPLATKLKB1PRSS1
SCHEMBL30182163 0.77 PLG (0.64) PLAUPLGPLATKLKB1PRSS1

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-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 — — WO disclosed
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