SCHEMBL30147748

SCHEMBL30147748

Cc1cc(F)ccc1-n1ncc(C(=O)O)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 5/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KEAP1 Q14145 6/20 0.46
NFE2L2 Q16236 6/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 3/20 0.43
CRHBP P24387 1/20 0.43
MC4R P32245 1/20 0.43
CRHR2 Q13324 1/20 0.43
ATM Q13315 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL21605020 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL30147314 0.89 MALT1 (0.43) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL2297454 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL2298539 0.86 POLB (0.54) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL21604981 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL21605000 0.85 POLB (0.56) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL30147850 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL30147712 0.85 POLB (0.56) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL21604777 0.84 HPGD (0.58) SMN1; SMN2MAPTPOLBKDM4ERAB9A
SCHEMBL30147821 0.84 HPGD (0.58) SMN1; SMN2MAPTPOLBKDM4ERAB9A

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-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed