SCHEMBL11564349

SCHEMBL11564349

Cn1c(-c2ccccc2)c2c(c(C#N)c1=O)-c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH1A1 P00352 10/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GRM2 Q14416 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTR3A P46098 1/20 0.39
▸ GRIA4 P48058 2/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL11565243 0.81 ALDH1A1 (0.44) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10949178 0.74 MAOB (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6824878 0.71 MEN1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11567837 0.71 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9148849 0.70 NR4A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9158144 0.69 ALDH1A1 (0.54) HSD17B10ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11564514 0.69 HSD11B1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11462985 0.68 ALDH1A1 (0.59) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30662020 0.68 ALDH1A1 (0.68) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11562611 0.68 GRIA2 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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
US-4180666-A 3,9-Dihydro-3,9-dioxo-2H-indeno(2,1-c)-pyridine-4-(carbonitriles/carboxamides) G. D. SEARLE & CO. (US) 1979-12-25 — — US claimed
US-4180666-A 3,9-Dihydro-3,9-dioxo-2H-indeno(2,1-c)-pyridine-4-(carbonitriles/carboxamides) G. D. SEARLE & CO. (US) 1979-12-25 — — US disclosed
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