SCHEMBL19976867

SCHEMBL19976867

CCC(CC)c1ccc(F)cc1NN

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
MAPT P10636 2/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
CRHR1 P34998 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
POLB P06746 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
NCOR2 Q9Y618 2/20 0.31

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
SCHEMBL18556892 0.81 PKM (0.33) PKMMAPTSMN1; SMN2POLBHDAC3
SCHEMBL24656034 0.80 PKM (0.33) PKMMAPTHTR2ASMN1; SMN2
SCHEMBL19976890 0.79 LMNA (0.39) MAPTSMN1; SMN2KCNH2ALDH1A1GAA
SCHEMBL27668309 0.76 ALDH1A1 (0.40) HTR2AKCNH2ALDH1A1GAACRHR1
SCHEMBL23588362 0.75 PKM (0.39) PKMMAPTHTR2ASMN1; SMN2ALDH1A1
SCHEMBL19697077 0.75 MC4R (0.42) PKMKCNH2ALDH1A1CRHR1IDO1
SCHEMBL2632720 0.71 KCNH2 (0.42) PKMHTR2AKCNH2ALDH1A1CRHR1
SCHEMBL24656100 0.70 PKM (0.35) PKMHTR2A
SCHEMBL13637255 0.69 KCNH2 (0.38) PKMHTR2AKCNH2CRHR1POLB
SCHEMBL18713690 0.69 KDM4E (0.44) SMN1; SMN2KCNH2POLB

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
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed