SCHEMBL20535138

SCHEMBL20535138

COc1cccnc1C(C)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.47
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
PTGFR P43088 3/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 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
SCHEMBL11429586 0.83 MAPT (0.42) CTSAPOLBLMNAMAPTKMT2A
SCHEMBL21631944 0.81 GAA (0.50) CTSAPOLBSMN1; SMN2LMNAPTGFR
SCHEMBL21631964 0.80 CTSA (0.44) CTSAPOLBSMN1; SMN2LMNAPTGFR
SCHEMBL31446949 0.80 KMT2A (0.47) CTSAPOLBSMN1; SMN2LMNAGAA
SCHEMBL20072464 0.79 CYP2D6 (0.41) SMN1; SMN2LMNAGAAKMT2AL3MBTL1
SCHEMBL17061189 0.78 CTSA (0.45) CTSAMAPTL3MBTL1
SCHEMBL9963325 0.76 PLAU (0.46) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL1207026 0.76 POLB (0.57) CTSAPOLBSMN1; SMN2LMNAKMT2A
SCHEMBL30040417 0.76 POLB (0.57) CTSAPOLBSMN1; SMN2LMNAKMT2A
SCHEMBL11422677 0.75 MAPT (0.41) POLBLMNAMAPTKMT2AHTT

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-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
WO-2018189011-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed