SCHEMBL9769170

SCHEMBL9769170

Cc1ccc(N(C)C)cc1.Cc1ccc(N)c(C(C)(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 9/20 0.48
TSHR P16473 2/20 0.48
SLC2A1 P11166 1/20 0.39
TDP1 Q9NUW8 5/20 0.38
ALOX15 P16050 4/20 0.38
MAPK1 P28482 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
GFER P55789 1/20 0.36
MCL1 Q07820 1/20 0.36
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NSD2 O96028 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
SCHEMBL33608 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1TSHRTDP1ALOX15
SCHEMBL3291266 0.75 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1TSHRTDP1ALOX15
SCHEMBL5535338 0.73 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TSHRTDP1ALOX15
SCHEMBL10216057 0.70 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRTDP1ALOX15
SCHEMBL28669112 0.70 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRTDP1ALOX15
Methyl Alcohol SCHEMBL9500919 0.70 ALDH1A1 (0.88) ALDH1A1TSHRSLC2A1TDP1ALOX15
SCHEMBL28378 0.70 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1TSHRSLC2A1TDP1
SCHEMBL20678561 0.70 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1TSHRSLC2A1TDP1
SCHEMBL20528330 0.69 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRTDP1ALOX15
SCHEMBL7062536 0.68 ALDH1A1 (0.80) ALDH1A1TSHRTDP1ALOX15MAPK1

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-5037638-A Anticaries agent BISCO INC. (US) 1991-08-06 US disclosed