SCHEMBL724731

SCHEMBL724731

O=C1NCCN1COC1CC2CCC1C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.31
GRM1 Q13255 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAPT P10636 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL235529 0.72 CYP19A1 (0.35) CYP19A1POLBATMGRM1
SCHEMBL14920229 0.71 POLB (0.38) POLBALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL12504702 0.70 NPC1 (0.38) POLBALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL721442 0.68 TDP1 (0.41) CYP19A1MAPTKMT2AKDM4E
SCHEMBL4504953 0.65 HCAR1 (0.38) POLBALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL4504957 0.65 HCAR1 (0.38) POLBALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL12504705 0.65 ALDH1A1 (0.43) CYP19A1POLBALDH1A1MAPTCYP2C9
SCHEMBL3720969 0.64
SCHEMBL2869407 0.64 CYP19A1 (0.34) CYP19A1ATMGRM1
SCHEMBL13720955 0.64 CYP19A1 (0.33) CYP19A1ATM

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-2609468-A1 METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD FUJIFILM Corporation (JP) 2013-07-03 EP disclosed
WO-2012026622-A1 METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD FUJIFILM CORPORATION (JP) 2012-03-01 WO disclosed