SCHEMBL6338698

SCHEMBL6338698

Cc1ccc(N)c(Cc2ccccc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.55
AMY1A P0DUB6 1/20 0.51
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IDH1 O75874 1/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.43
KEAP1 Q14145 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL24637888 0.87 AMY1A (0.67) HSPA5AMY1AMAPTSMN1; SMN2ALOX15
SCHEMBL10471927 0.85 AMY1A (0.69) HSPA5AMY1AMAPTSMN1; SMN2ALOX15
SCHEMBL12463289 0.83 ALOX15 (0.56) AMY1AMAPTSMN1; SMN2ALOX15ALDH1A1
SCHEMBL12110846 0.82 HSPA5 (0.59) HSPA5MAPTALOX15KEAP1TAAR1
SCHEMBL9752000 0.82 HSPA5 (0.64) HSPA5AMY1AMAPTSMN1; SMN2IDH1
SCHEMBL6347331 0.80 HSPA5 (0.52) HSPA5MAPTALOX15ALDH1A1HSD17B10
SCHEMBL6339844 0.79 ALOX15 (0.58) HSPA5MAPTSMN1; SMN2ALOX15ALDH1A1
SCHEMBL28870145 0.79 MPO (0.41) SMN1; SMN2ALOX15HTTTP53CYP3A4
SCHEMBL1470800 0.79 HSPA5 (0.73) HSPA5ALOX15HSD17B10KEAP1TAAR1
SCHEMBL7460688 0.79 HSPA5 (0.59) HSPA5AMY1AMAPTSMN1; SMN2ALDH1A1

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-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed