SCHEMBL9953363

SCHEMBL9953363

CC(O)N1CC(c2ccccc2)N=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
ALPL P05186 2/20 0.37
TSHR P16473 2/20 0.37
ALPI P09923 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD1 P21728 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
BLM P54132 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL11186239 0.71 MEN1 (0.61) KMT2AMEN1ATMALPLTSHR
SCHEMBL11225488 0.70 SLC18A3 (0.40) KMT2AMEN1ATMALPLTSHR
SCHEMBL7695527 0.69 NPC1 (0.40) KMT2AMEN1ATMALPLTSHR
SCHEMBL28801759 0.69 MEN1 (0.54) KMT2AMEN1ATMALPLTSHR
SCHEMBL27542583 0.64 MAOB (0.42) KMT2AMEN1ATMALDH1A1MAOA
SCHEMBL11666708 0.64 KMT2A (0.41) KMT2AMEN1TSHRLMNA
SCHEMBL280518 0.60 MEN1 (0.40) KMT2AMEN1ATMALPLTSHR
Bromide SCHEMBL11626764 0.59 MEN1 (0.44) KMT2AMEN1ATMALPLTSHR
SCHEMBL24410991 0.59 NPC1 (0.49) KMT2AMEN1ATMALPLTSHR
Biphenyl SCHEMBL8391913 0.58 ALDH1A1 (0.60) CYP1A2CYP2D6ALDH1A1LMNAGAA

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-2654665-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA Pharma Gesellschaft für die Entwicklung und Vermarktung pharmazeutischer Produkte mbH (DE) 2013-10-30 EP disclosed
WO-2012083906-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA PHARMA GESELLSCHAFT FÜR DIE ENTWICKLUNG UND VERMARKTUNG PHARMAZEUTISCHER PRODUKTE MBH (DE) 2012-06-28 WO disclosed