SCHEMBL9506749

SCHEMBL9506749

CN(C)c1ccc2c(c1)C(=O)OC2(Cl)Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
CYP3A4 P08684 1/20 0.63
HIF1A Q16665 1/20 0.63
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
KDM4E B2RXH2 2/20 0.35
PDK2 Q15119 1/20 0.35
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PTK2B Q14289 1/20 0.34
PKM P14618 1/20 0.34
APP P05067 2/20 0.33
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL29381342 0.81 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL6744454 0.81 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL311267 0.81 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL10933724 0.81 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL18143522 0.78 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL27188 0.78 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL9506034 0.77 NPSR1 (0.41) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL9617636 0.75 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL2905368 0.74 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10TDP1CYP3A4
SCHEMBL11374917 0.74 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10TDP1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377406-B1 PRESSURE-SENSITIVE OR HEAT-SENSITIVE RECORDING MATERIAL CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5013707-A Pressure- or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0377406-A1 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-07-11 EP disclosed