SCHEMBL9513469

SCHEMBL9513469

CNc1cccc(N)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
PRKCI P41743 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CFTR P13569 1/20 0.40
GAA P10253 2/20 0.40
ACHE P22303 1/20 0.40
GLA P06280 1/20 0.40
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL22520945 0.81 CES2 (0.48) KDM4EALDH1A1GAAACHEGLA
SCHEMBL14454097 0.81 POLB (0.43) KDM4EPOLBATMALDH1A1HSD17B10
SCHEMBL9512487 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10CFTRGAA
SCHEMBL7748934 0.79 ALDH1A1 (0.46) KDM4EPOLBALDH1A1GAAGLA
SCHEMBL1613338 0.79 MMP2 (0.43) KDM4EPOLBALDH1A1HSD17B10CFTR
SCHEMBL11532613 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10CFTRGLA
SCHEMBL11446092 0.75 GPR35 (0.51) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL14454101 0.75 MEN1 (0.44) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL689849 0.74 CD44 (0.48) KDM4EPOLBALDH1A1HSD17B10IKBKB
SCHEMBL8061202 0.73 KDM4E (0.47) KDM4EPOLBATMALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP disclosed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP disclosed
US-4191840-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-04 US disclosed