SCHEMBL28815732

SCHEMBL28815732

CCn1nc(CCOC=O)c2cc(OC)c(OC)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ BRD9 Q9H8M2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ENPP1 P22413 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL14914993 0.72 KMT2A (0.53) MAPTKDM4EALDH1A1LMNASMN1; SMN2
Ethoxycarbonyl Group SCHEMBL28815733 0.70 PDE10A (0.43) MAPTKDM4EALDH1A1BRD9SMN1; SMN2
SCHEMBL14916359 0.69 PDE4A (0.46) MAPTRECQLBRD9MAPK1PDE4A
SCHEMBL14916146 0.65 PDE10A (0.60) MAPTKDM4EALDH1A1POLBPDE10A
SCHEMBL324627 0.64 ALDH1A1 (0.35) MAPTKDM4EALDH1A1LMNA
SCHEMBL18832978 0.64 PDE10A (0.55) MAPTKDM4EALDH1A1CYP2C19PDE10A
SCHEMBL31427207 0.63 RECQL (0.43) MAPTRECQLKDM4EALDH1A1
SCHEMBL27473534 0.63 HTR2A (0.55) —
SCHEMBL29892782 0.62 LMNA (0.53) ALDH1A1BRD9LMNASMN1; SMN2MAPK1
SCHEMBL27606197 0.61 CYP2C9 (0.37) MAPTKDM4EALDH1A1LMNASMN1; SMN2

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
CN-104203919-A eterocyclic carboxamides useful as inhibitors of phosphodiesterase type 10A ABBVIE DEUTSCHLAND 2014-12-10 — — CN disclosed
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