SCHEMBL11069191

SCHEMBL11069191

CCCCCC1CCC(c2cnc(C3CCC(CCCCC)CC3)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
CYP1A2 P05177 3/20 0.39
OPRL1 P41146 1/20 0.39
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SPHK1 Q9NYA1 3/20 0.36
HTT P42858 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
SCHEMBL11069186 1.00 MEN1 (0.43) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11069213 0.98 MAPT (0.43) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11066966 0.98 MAPT (0.43) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11073252 0.97 CYP2C9 (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11074553 0.97 CYP2C9 (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11074138 0.97 CYP2C9 (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11074551 0.97 CYP2C9 (0.42) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11071819 0.95 MAPT (0.41) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11069255 0.95 MAPT (0.41) MEN1KMT2AMAPTGAACYP1A2
SCHEMBL11069258 0.95 MAPT (0.41) MEN1KMT2AMAPTGAACYP1A2

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
US-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 US disclosed