SCHEMBL26669237

SCHEMBL26669237

c1ccc(-n2cc(-n3cccn3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
NOTUM Q6P988 1/20 0.52
HPGDS O60760 1/20 0.51
ALKBH2 Q6NS38 1/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
GRM4 Q14833 7/20 0.43
HTR2B P41595 1/20 0.42
MTNR1A P48039 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL27250 0.86 NOTUM (0.65) GAANOTUMKDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL15510676 0.84 NOTUM (0.63) GAANOTUMKDM4EALDH1A1MAPK1
Iodide SCHEMBL336356 0.84 NOTUM (0.63) GAANOTUMKDM4EALDH1A1MAPK1
SCHEMBL842039 0.84 NOTUM (0.63) GAANOTUMKDM4EALDH1A1MAPK1
SCHEMBL6428811 0.84 NOTUM (0.63) GAANOTUMKDM4EALDH1A1MAPK1
SCHEMBL28493417 0.84 NOTUM (0.63) GAANOTUMKDM4EALDH1A1MAPK1
SCHEMBL514704 0.84 NOTUM (0.63) GAANOTUMKDM4EALDH1A1MAPK1
Methylamine SCHEMBL27947262 0.80 NOTUM (0.59) GAANOTUMKDM4EALDH1A1MAPK1
Formaldehyde SCHEMBL27652263 0.80 NOTUM (0.59) GAANOTUMKDM4EALDH1A1MAPK1
Bicarbonate SCHEMBL10672835 0.79 NOTUM (0.57) GAANOTUMHPGDSALKBH2KDM4E

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
WO-2024038044-A1 PROCESS FOR THE PREPARATION OF BIO-BASED OLEFINS FROM PRIMARY ALCOHOL BASF SE (DE) 2024-02-22 WO claimed
WO-2024038044-A1 PROCESS FOR THE PREPARATION OF BIO-BASED OLEFINS FROM PRIMARY ALCOHOL BASF SE (DE) 2024-02-22 WO disclosed
EP-4281436-A1 SYNTHESIS OF POLYFLUORINATED ARYL AND HETEROARYL CARBOXAMIDES BASF SE (DE) 2023-11-29 EP disclosed