SCHEMBL21101481

SCHEMBL21101481

O=CCNC(=O)c1ccnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.57
FAP Q12884 9/20 0.54
PREP P48147 5/20 0.48
DPP7 Q9UHL4 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PITRM1 Q5JRX3 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL12903049 0.82 NSD2 (0.59) NSD2FAPPREPDPP7HDAC3
SCHEMBL21101962 0.81 PREP (0.55) NSD2FAPPREPDPP9
SCHEMBL15129718 0.81 NSD2 (0.62) NSD2FAPPREPDPP7HDAC3
SCHEMBL30135587 0.81 NSD2 (0.62) NSD2FAPPREPDPP7HDAC3
SCHEMBL5603305 0.80 NSD2 (0.56) NSD2FAPPREPDPP7HDAC3
SCHEMBL24928102 0.77 FAP (0.63) NSD2FAPPREPDPP7PITRM1
SCHEMBL10243020 0.77 HTT (0.60) NSD2FAPHDAC3HDAC4HDAC1
SCHEMBL2402489 0.77 NSD2 (0.65) NSD2FAP
SCHEMBL379808 0.77 CYP3A4 (0.60) NSD2
SCHEMBL8573837 0.76 NSD2 (0.56) NSD2FAPPREPHDAC3HDAC4

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-4122499-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2023-01-25 EP disclosed
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed