SCHEMBL11715971

SCHEMBL11715971

Cc1cc(N)c2ccccc2c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 7/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCF1 P14598 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 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
SCHEMBL24825907 0.79 AR (0.48) PKMALDH1A1KDM4EPOLBTDP1
SCHEMBL3972018 0.78 TSHR (0.48) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL3604614 0.77 ALDH1A1 (0.41) PKMALDH1A1KDM4EPOLBTDP1
SCHEMBL25210638 0.77 L3MBTL1 (0.46) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL24400197 0.77 KDM4E (0.37) PKMALDH1A1KDM4EPOLBTDP1
SCHEMBL11714385 0.77 IDO1 (0.50) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL4834119 0.74 KDM4E (0.44) ALDH1A1KDM4EPOLBTDP1GAA
SCHEMBL352532 0.73 PKM (0.63) PKMALDH1A1KDM4EPOLBTDP1
SCHEMBL31517208 0.73 PKM (0.63) PKMALDH1A1KDM4EPOLBTDP1
SCHEMBL29405295 0.73 PKM (0.63) PKMALDH1A1KDM4EPOLBTDP1

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-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US disclosed