SCHEMBL9364633

SCHEMBL9364633

CCC(=O)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NLRP3 Q96P20 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
IL18 Q14116 1/20 0.50
KDM1A O60341 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL11606937 0.85 ATM (0.52) MAPTHTTPOLBCA1CA2
SCHEMBL14266363 0.82 SAE1 (0.57) SAE1UBA2MAPTLMNATSHR
SCHEMBL9364688 0.81 KMT2A (0.57) MAPTLMNATSHRHTTMEN1
SCHEMBL11608026 0.80 TP53 (0.55) MAPTHTTMEN1KMT2APOLB
SCHEMBL6108665 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL9365252 0.79 MAPT (0.65) SAE1UBA2MAPTLMNATSHR
SCHEMBL10037166 0.78 GPR35 (0.67) SAE1UBA2MAPTLMNATSHR
SCHEMBL21138401 0.77 MAPT (0.56) SAE1UBA2MAPTLMNATSHR
SCHEMBL201980 0.77 RXFP1 (0.57) SAE1UBA2MAPTLMNATSHR
SCHEMBL10992089 0.77 LMNA (0.53) SAE1UBA2MAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 EP disclosed