SCHEMBL22686809

SCHEMBL22686809

Cc1cc(C(F)(F)F)cnc1-c1ccc(C2(C)CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MAPT P10636 2/20 0.34
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
POLB P06746 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
PDE2A O00408 1/20 0.34
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL24394081 0.74 SLC6A3 (0.49) MEN1KMT2AHSD11B1PDE2ASLC6A3
SCHEMBL29502570 0.71 AGBL2 (0.43) RAB9AKDM4ESMN1; SMN2ALDH1A1TRPM8
SCHEMBL13197431 0.71 SLC6A3 (0.51) HSD11B1SLC6A3
SCHEMBL26375520 0.71 ALDH1A1 (0.44) RAB9AKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9751737 0.69 SLC6A3 (0.56) MEN1KMT2ASLC6A3
SCHEMBL22685372 0.69 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1POLBAKT1
SCHEMBL1765224 0.68 KIF11 (0.47) KDM4EALDH1A1TRPV1
SCHEMBL1765772 0.68 KIF11 (0.47) KDM4ESMN1; SMN2ALDH1A1PTGS1POLB
Ammonia Solution, Strong SCHEMBL28005559 0.68 SLC6A3 (0.54) MEN1KMT2ASLC6A3
SCHEMBL13838853 0.67 OPRL1 (0.52) HSD11B1ALDH1A1SLC6A3

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
WO-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed