SCHEMBL29154153

SCHEMBL29154153

Cc1nc(-c2onc(C)c2NC(=O)O)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LPAR1 Q92633 3/20 0.40
LPAR3 Q9UBY5 1/20 0.40
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 1/20 0.34
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33

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
SCHEMBL25285309 0.84 MAPT (0.41) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL25429029 0.83 MAPT (0.41) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL31452200 0.83 SMN1; SMN2 (0.48) KDM4ELPAR1LPAR3RAB9ANPC1
SCHEMBL25405115 0.81 MAPT (0.39) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL25340143 0.81 LPAR1 (0.70) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL25340148 0.81 LPAR1 (0.70) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL25403761 0.80 MAPT (0.39) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL21107996 0.80 POLB (0.41) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL29645215 0.80 POLB (0.41) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL3711198 0.80 LPAR1 (0.42) MAPTKDM4ELPAR1LPAR3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989220-A Amido cyclohexanoic acid derivatives as LPA receptor inhibitors 奇斯药制品公司 2023-04-18 CN disclosed