SCHEMBL9768648

SCHEMBL9768648

c1ccc2c(c1)ccc1ncoc12.c1ccc2c(c1)ccc1ocnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
CYP2A6 P11509 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPRT1 P00492 1/20 0.34
PTPN1 P18031 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 1/20 0.33
PRMT5 O14744 1/20 0.33
PRMT3 O60678 1/20 0.33

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
SCHEMBL50811 0.87 TDP1 (0.48) CYP3A4TDP1HSD17B10LMNAALDH1A1
SCHEMBL3910922 0.87 CYP3A4 (0.52) CYP3A4TDP1HSD17B10LMNAALDH1A1
SCHEMBL29728143 0.87 CYP3A4 (0.52) CYP3A4TDP1HSD17B10LMNAALDH1A1
Iodide SCHEMBL16916967 0.85 TDP1 (0.46) CYP3A4TDP1HSD17B10LMNAALDH1A1
Phosphine SCHEMBL28474623 0.85 TDP1 (0.46) CYP3A4TDP1HSD17B10LMNAALDH1A1
SCHEMBL28466736 0.82 ALDH1A1 (0.43) CYP3A4TDP1HSD17B10LMNAALDH1A1
Formaldehyde SCHEMBL27472811 0.82 ALDH1A1 (0.43) CYP3A4TDP1HSD17B10LMNAALDH1A1
Anthracene SCHEMBL28071192 0.82 ALDH1A1 (0.43) CYP3A4TDP1HSD17B10LMNAALDH1A1
SCHEMBL5483099 0.80 HPRT1 (0.52) CYP3A4TDP1HSD17B10LMNAALDH1A1
SCHEMBL29353155 0.80 HPRT1 (0.52) CYP3A4TDP1HSD17B10LMNAALDH1A1

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-5015561-A Method for forming a direct positive image FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed