SCHEMBL11050864

SCHEMBL11050864

Cc1cccc(-n2cnc(CO)c2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.46
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
ADRB1 P08588 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 4/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11051880 0.87 ALDH1A1 (0.47) HCAR1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL21621663 0.86 ALDH1A1 (0.41) HCAR1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11047604 0.82 HCAR1 (0.45) HCAR1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL11101297 0.73 FGFR1 (0.47) ALDH1A1HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL29051025 0.73 PI4KA (0.42) HCAR1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2238527 0.71 NOTUM (0.38) HCAR1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL9518250 0.70 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL11048752 0.69 CPB1 (0.43) HCAR1ALDH1A1HPGDHSD17B10HTT
SCHEMBL23458074 0.67 CCR1 (0.34) ALDH1A1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL23458100 0.67 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP1A2CYP2D6

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
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed