SCHEMBL27738342

SCHEMBL27738342

CC1=C(c2ccc(F)cc2NC2CCCCC2)C(C=O)CC1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
KCNH2 Q12809 4/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2D6 P10635 1/20 0.31
GRIN2B Q13224 1/20 0.31
AGER Q15109 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
SCHEMBL27717297 0.87 SMN1; SMN2 (0.39) RAB9AHDAC8SMN1; SMN2L3MBTL1CNR1
SCHEMBL27717298 0.85 ALOX15 (0.34) HDAC8ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3676906 0.74 NPC1 (0.36) NPC1RAB9APOLBHDAC8ALDH1A1
SCHEMBL27738344 0.73 CDK9 (0.36) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL11964465 0.64 MAPT (0.59) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL31720822 0.64 MAPT (0.59) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL3673565 0.64 NPC1 (0.37) NPC1RAB9APOLBHDAC8ALDH1A1
SCHEMBL27738345 0.62 ALDH1A1 (0.35) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL11901731 0.61 MAPT (0.56) POLBALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30936578 0.61 MAPT (0.56) POLBALDH1A1LMNAMAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558245-A Catalyst composition comprising group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEMICAL LTD 2012-07-11 CN disclosed
CN-101300261-A Catalyst composition comprising group 4 transition metal complexes and method for preparing polyolefins using the same LG CHEMICAL LTD (KR) 2008-11-05 CN disclosed
CN-101296932-A Transition metal complex and preparation method thereof LG CHEMICAL LTD (KR) 2008-10-29 CN disclosed