SCHEMBL6541567

SCHEMBL6541567

c1ccc(-c2ccccc2[N]c2cccc3c2ccc2ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
TSHR P16473 2/20 0.40
CYP2A6 P11509 1/20 0.40
TNF P01375 1/20 0.40
HPGD P15428 3/20 0.39
CYP1A2 P05177 3/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CDK4 P11802 1/20 0.38

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
SCHEMBL5010144 0.90 SIGMAR1 (0.51) SIGMAR1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL6541278 0.86 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL2328165 0.86 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL6541655 0.84 HPRT1 (0.61) HPRT1SIGMAR1ALDH1A1HSD17B10TDP1
SCHEMBL27631995 0.82 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL443518 0.82 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL27620091 0.80 HPRT1 (0.67) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL2290967 0.79 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30332725 0.78 HPRT1 (0.58) HPRT1SIGMAR1ALDH1A1HSD17B10TDP1
SCHEMBL2592231 0.78 HPRT1 (0.58) HPRT1SIGMAR1ALDH1A1HSD17B10TDP1

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
EP-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed