SCHEMBL11046065

SCHEMBL11046065

Cc1ccc(N(C)C(=O)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.48
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL12550524 0.91 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL8924930 0.83 POLB (0.50) ALDH1A1SMN1; SMN2RAB9ATSHRMEN1
SCHEMBL9805740 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL9254666 0.82 APP (0.42) ALDH1A1SMN1; SMN2MAPTGPBAR1
SCHEMBL6714469 0.80 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2RAB9AMAPTKMT2A
SCHEMBL12435790 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ATSHRMAPT
SCHEMBL11281321 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL2089214 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL762796 0.79 NPSR1 (0.52) ALDH1A1SMN1; SMN2RAB9ATSHRMEN1
SCHEMBL2069525 0.79 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1

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-4428923-A Continuous process for the production of hydrogen peroxide according to the anthraquinone process DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
US-4090024-A Process for the production of skatylhydantoin DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1978-05-16 US disclosed