SCHEMBL13680717

SCHEMBL13680717

CC(=O)Cn1cc(-c2ccc(C)o2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.40
ALDH1A1 P00352 6/20 0.39
GSK3B P49841 1/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BTK Q06187 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL13681011 0.78 ALDH1A1 (0.35) ALDH1A1POLBKDM4EKMT2AMAPT
SCHEMBL14220727 0.72 KDM4E (0.46) ALDH1A1RAB9AKDM4EMAPTTDP1
SCHEMBL13680646 0.71 EIF2AK2 (0.46) ALPIALPGPLAA
SCHEMBL6938232 0.71 ALPI (0.54) ALDH1A1POLBRAB9AKMT2AMAPT
SCHEMBL13680671 0.70 CYP2A6 (0.44) ALDH1A1KDM4EMAPTBTKHTT
SCHEMBL16437819 0.69 CREBBP (0.49) RAB9AL3MBTL1BTKNPC1CCNC
SCHEMBL13680736 0.68 BTK (0.39) ALDH1A1RAB9AKDM4EUSP2BTK
SCHEMBL22448097 0.67 FFAR1 (0.46) CCNCCDK8
SCHEMBL13680452 0.66 GSK3B (0.61) ALDH1A1GSK3BKDM4EKMT2AMAPT
SCHEMBL13113429 0.66 HSD17B10 (0.50) ALDH1A1POLBRAB9AKDM4EKMT2A

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed