SCHEMBL6979193

SCHEMBL6979193

N#CNC(=S)Nc1ccc(C(F)(F)F)cc1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KIF11 P52732 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
DHODH Q02127 2/20 0.49
EPHX2 P34913 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL8983532 0.98 CDK1 (0.55) CDK1MEN1KMT2ASMN1; SMN2KIF11
SCHEMBL9453957 0.82 CDK1 (0.68) CDK1MEN1KMT2ASMN1; SMN2KIF11
SCHEMBL6986153 0.81 MAPT (0.68) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8983504 0.80 MAPT (0.69) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8983416 0.79 GAA (0.58) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL6986158 0.78 MAPT (0.68) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL6982146 0.77 MAPT (0.56) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL6977163 0.77 KMT2A (0.55) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL17956747 0.75 KMT2A (0.69) CDK1MEN1KMT2ASMN1; SMN2KIF11
SCHEMBL2973297 0.75 MAPT (0.58) SMN1; SMN2LMNAHTTALDH1A1MAPT

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-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed