SCHEMBL19964495

SCHEMBL19964495

NCc1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.62
LOX P28300 3/20 0.62
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
KMT2A Q03164 3/20 0.57
CFD P00746 2/20 0.57
SIRT1 Q96EB6 1/20 0.57
F11 P03951 1/20 0.55
TPSB2 P20231 1/20 0.55
SUCNR1 Q9BXA5 1/20 0.55
ROCK2 O75116 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
PLAU P00749 1/20 0.55

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
Hydrochloric Acid SCHEMBL19953267 0.98 LOXL2 (0.62) LOXL2LOXHDAC1HDAC2HDAC8
SCHEMBL6681834 0.90 KCNK3 (0.69) KCNK3KCNK9KMT2ACFDSIRT1
SCHEMBL15653197 0.88 PTGS1 (0.59) LOXL2LOXKMT2AROCK2LMNA
SCHEMBL15650701 0.86 PTGS1 (0.60) LOXL2LOXKCNK3KCNK9KMT2A
SCHEMBL1552986 0.86 NT5E (0.62) LOXL2LOXKCNK3KMT2AROCK2
SCHEMBL27680245 0.86 ROCK2 (0.55) LOXL2LOXHDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL5458845 0.85 NT5E (0.61) LOXL2LOXKCNK3KMT2AROCK2
SCHEMBL6677659 0.85 PTPN1 (0.65) LOXL2LOXHDAC1HDAC2HDAC8
SCHEMBL1857575 0.85 PTPN1 (0.65) KCNK3KCNK9KMT2ASIRT1NPC1
SCHEMBL12228481 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6KCNK3

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-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed