SCHEMBL7600252

SCHEMBL7600252

Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(N2CCNCC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
MT-CO2 P00403 1/20 0.48
TP53 P04637 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
BACE1 P56817 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ADRB2 P07550 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 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
SCHEMBL6974566 0.82 MAPK14 (0.58) MAPK14RAF1BRAF
SCHEMBL27527545 0.78 BRAF (0.59) MAPK14CHRM1RAF1BRAF
SCHEMBL6779151 0.77 HPGDS (0.61) ALDH1A1KDM4ESMN1; SMN2MAPK14MAPT
SCHEMBL6777439 0.77 BRPF1 (0.59) ALDH1A1HPGDPOLBSMN1; SMN2KCNK3
SCHEMBL6778190 0.77 KMT2A (0.71) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL6781323 0.77 TSHR (0.54) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6782017 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL6309797 0.75 HTR5A (0.56) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL5563711 0.74 SMN1; SMN2 (0.72) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL31606985 0.73 MT-CO2 (0.78) ALDH1A1HPGDSMN1; SMN2MT-CO2TP53

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
EP-1017378-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2002-12-11 EP claimed