SCHEMBL22809140

SCHEMBL22809140

CCSc1cc(C(F)(F)F)ccc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA1 P14867 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
CBFB Q13951 1/20 0.43
MAPT P10636 2/20 0.42
GRM5 P41594 2/20 0.40
KMT2A Q03164 2/20 0.39
TGFBR1 P36897 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPP1CA P62136 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL18785056 0.80 ALOX5AP (0.39) ALDH1A1NPSR1L3MBTL1KDM4EALOX5AP
SCHEMBL4730316 0.78 CBFB (0.50) CBFBMAPTGRM5KMT2ATGFBR1
SCHEMBL18785043 0.78 CYP4F2 (0.41) KDM4EHPGD
SCHEMBL28261462 0.77 CBFB (0.42) CBFBMAPTGRM5KMT2ATGFBR1
SCHEMBL28163157 0.76 GRM5 (0.48) CBFBGRM5TGFBR1KDM4EHPGD
SCHEMBL20628042 0.76 KDM4E (0.42) MAPTALDH1A1LMNAATMNPSR1
SCHEMBL14116546 0.75 MPL (0.55) CBFBMAPTGRM5KMT2ATGFBR1
SCHEMBL6301360 0.75 CBFB (0.50) CBFBMAPTGRM5KMT2ATGFBR1
SCHEMBL1206412 0.75 CBFB (0.50) CBFBMAPTGRM5KMT2ATGFBR1
SCHEMBL28209756 0.75 CBFB (0.50) CBFBGRM5TGFBR1LMNAKDM4E

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-3366674-B1 PYRIDINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
CN-106715428-A Pesticidally active tetracyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2017-05-24 CN disclosed