SCHEMBL4785901

SCHEMBL4785901

CCCCNc1c(C(N)=O)cccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.51
LTB4R2 Q9NPC1 3/20 0.45
KDM4E B2RXH2 4/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
F2R P25116 2/20 0.43
SOAT1 P35610 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL7259314 0.86 BCAT2 (0.57) BCAT2LTB4R2ALDH1A1MEN1MAPT
SCHEMBL3708756 0.85 CYP2C9 (0.47) LTB4R2KDM4ETSHRHTTALOX15
SCHEMBL3708751 0.85 HTT (0.43) LTB4R2KDM4ETSHRHTTALDH1A1
SCHEMBL24074655 0.77 KDM4E (0.47) BCAT2LTB4R2KDM4ETSHRHTT
SCHEMBL3704895 0.77 CHRNB2 (0.44) KDM4EHTTALDH1A1HPGDMEN1
SCHEMBL3704894 0.77 ALDH1A1 (0.48) BCAT2KDM4EALDH1A1HPGDMEN1
SCHEMBL4785899 0.76 TSHR (0.47) BCAT2LTB4R2KDM4ETSHRHTT
SCHEMBL2732932 0.76 NAAA (0.51) KDM4ETSHRHTTALDH1A1HPGD
SCHEMBL27822509 0.76 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL14577687 0.75 TSHR (0.53) KDM4ETSHRHTTALDH1A1HPGD

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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed