SCHEMBL20004337

SCHEMBL20004337

C[C@@H](I)c1ccc(-n2cccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.55
▸ POLB P06746 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BRS3 P32247 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ PCSK9 Q8NBP7 1/20 0.39

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
SCHEMBL10080953 0.85 POLB (0.65) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL5567481 0.82 NOTUM (0.55) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL19368257 0.82 NOTUM (0.55) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL27821378 0.82 NOTUM (0.55) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL8215541 0.82 NOTUM (0.55) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL18793689 0.81 NOTUM (0.42) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL4341894 0.80 NOTUM (0.78) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL11989518 0.79 NOTUM (0.51) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL11990242 0.79 POLB (0.52) NOTUMPOLBKDM4EALDH1A1MAPK1
SCHEMBL14438355 0.78 POLB (0.51) NOTUMPOLBKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 — — EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 — — WO disclosed
Send feedback