SCHEMBL20534571

SCHEMBL20534571

CC(C)(CC(=O)O)c1ncccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.41
HIF1A Q16665 2/20 0.40
CYP2C19 P33261 1/20 0.40
TBXA2R P21731 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
P2RY1 P47900 1/20 0.38
SLC13A5 Q86YT5 3/20 0.37
AKR1B1 P15121 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21632313 0.82 PTGFR (0.46) PTGFRHIF1ACYP2C19TBXA2RLMNA
SCHEMBL21631952 0.81 PTGFR (0.39) PTGFRHIF1ACYP2C19TBXA2RLMNA
SCHEMBL365596 0.78 SMN1; SMN2 (0.42) PTGFRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL20609516 0.78 TDP1 (0.40) LMNASMN1; SMN2KMT2ACASP3SENP8
SCHEMBL30686523 0.76 DPP4 (0.40) PTGFRLMNASMN1; SMN2KMT2A
SCHEMBL21631978 0.75 PTGFR (0.44) PTGFRLMNASMN1; SMN2KMT2APTGDR2
SCHEMBL18994861 0.75 KDM4E (0.33) LMNAKMT2AALDH1A1TDP1
SCHEMBL3869346 0.73 SMN1; SMN2 (0.43) LMNASMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL18668145 0.73 HSD11B1 (0.39) CYP2C19LMNASMN1; SMN2KMT2AMEN1
SCHEMBL179292 0.73 TRPV1 (0.37) LMNAKMT2AALDH1A1TDP1

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