SCHEMBL2008192

SCHEMBL2008192

Cc1cccc(C(=O)c2cn(Cc3ccccc3)cn2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.48
RBP4 P02753 1/20 0.46
KDM4C Q9H3R0 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
RIPK1 Q13546 3/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
FABP4 P15090 1/20 0.40
KDM4A O75164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2010567 0.86 KLKB1 (0.43) KLKB1RBP4KDM4CKDM5AKDM5B
SCHEMBL16690901 0.78 RBP4 (0.54) KLKB1RBP4KDM4CKDM5AKDM5B
SCHEMBL3688462 0.77 KDM4C (0.57) KLKB1RBP4KDM4CKDM5AKDM5B
SCHEMBL1479335 0.77 NAPRT (0.48) KLKB1RBP4KDM4CKDM5AKDM5B
SCHEMBL1479212 0.77 NAPRT (0.48) KLKB1RBP4KDM4CKDM5AKDM5B
SCHEMBL12510626 0.76 SIRT2 (0.36) CYP3A4CYP2C9NPC1RAB9A
SCHEMBL24310337 0.76 KDM4C (0.50) KLKB1RBP4KDM4CKDM5AKDM5B
SCHEMBL24310642 0.75 KDM4C (0.52) KLKB1RBP4KDM4CKDM5AKDM5B
SCHEMBL28146943 0.75 SIRT2 (0.36) CYP3A4CYP2C9NPC1RAB9A
SCHEMBL15964744 0.75 RBP4 (0.54) KLKB1RBP4KDM4CKDM5AKDM5B

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
WO-2011070069-A1 PROCESS FOR PREPARATION OF MEDETOMIDINE I-TECH AB (SE) 2011-06-16 WO claimed
WO-2011070069-A1 PROCESS FOR PREPARATION OF MEDETOMIDINE I-TECH AB (SE) 2011-06-16 WO disclosed
WO-2011070069-A1 PROCESS FOR PREPARATION OF MEDETOMIDINE I-TECH AB (SE) 2011-06-16 WO disclosed