SCHEMBL22945926

SCHEMBL22945926

CCOc1cc(C(C)=O)cc(C(=O)NC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.60
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 1/20 0.48
CREBBP Q92793 3/20 0.47
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
ALOX12 P18054 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 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
SCHEMBL31634959 1.00 PLK1 (0.60) PLK1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL16491018 0.90 PLK1 (0.68) PLK1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9701615 0.84 KMT2A (0.59) PLK1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29318285 0.83 PLK1 (0.60) PLK1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL19988556 0.82 HDAC8 (0.52) PLK1KMT2ASMN1; SMN2LMNABRD4
SCHEMBL16350551 0.82 HDAC8 (0.52) PLK1KMT2ASMN1; SMN2LMNABRD4
SCHEMBL22946249 0.79 PARP10 (0.58) KMT2AMEN1SMN1; SMN2LMNACREBBP
SCHEMBL20239499 0.77 KMT2A (0.54) KMT2AMEN1SMN1; SMN2LMNACREBBP
SCHEMBL9525522 0.77 CA5A (0.57) KMT2AMEN1SMN1; SMN2LMNACREBBP
SCHEMBL23484215 0.77 CA5A (0.52) PLK1KMT2AMEN1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed
WO-2021020429-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR 大正製薬株式会社 2021-02-04 WO disclosed