SCHEMBL20713445

SCHEMBL20713445

CCc1cccc(CI)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.41
GABRB2 P47870 5/20 0.41
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DAO P14920 2/20 0.33
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31
PDK2 Q15119 1/20 0.31
MGLL Q99685 1/20 0.31
ELANE P08246 3/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL9734348 0.89 GABRA1 (0.50) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL3088973 0.77 GABRA1 (0.43) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL21736785 0.75 GABRA1 (0.52) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL9336892 0.75 GABRA1 (0.52) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL15371487 0.75 GABRA1 (0.44) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL12446949 0.75 GABRA1 (0.41) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL6546378 0.75 L3MBTL1 (0.46) L3MBTL1DAOHTR2A
SCHEMBL24448361 0.73 LMNA (0.30) LMNASMN1; SMN2L3MBTL1
SCHEMBL18243183 0.73 GABRA1 (0.54) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL8346810 0.72 GABRA1 (0.46) GABRA1GABRB2L3MBTL1MGLL

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-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
WO-2019025467-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2019-02-07 WO disclosed