SCHEMBL19338014

SCHEMBL19338014

Cc1ccccccc(C)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMBS P08397 1/20 0.67
TSHR P16473 2/20 0.47
ACHE P22303 2/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.37
AHR P35869 1/20 0.36
MAPK8 P45983 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TP53 P04637 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
SCHEMBL65952 0.81
SCHEMBL23572345 0.78 CA1 (0.48) HMBSAHRGAAKDM4ECYP1A2
SCHEMBL28896011 0.77 HMBS (0.92) HMBSACHELMNAMAPK8GAA
SCHEMBL8619374 0.77
SCHEMBL8208273 0.77 HMBS (0.92) HMBSACHELMNAMAPK8GAA
SCHEMBL6561706 0.77
SCHEMBL22537619 0.74 MEN1 (0.41) HMBSLMNAL3MBTL1MAPK8KDM4E
SCHEMBL21763586 0.72 HMBS (0.48) HMBSTSHRACHEL3MBTL1AHR
SCHEMBL28975482 0.71 FKBP5 (0.43) HMBSTSHRACHELMNAALOX12
Toluene SCHEMBL175861 0.65 ACHE (1.00) TSHRACHELMNAALOX12CYP1A2

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
EP-2902489-B1 FGFR3 FUSION GENE AND PHARMACEUTICAL DRUG TARGETING SAME CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-09-13 EP disclosed