SCHEMBL6536368

SCHEMBL6536368

O=C(Oc1ccccc1)c1ccc(-n2ccnc2-n2ccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
ADH5 P11766 2/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 3/20 0.42
BAZ2B Q9UIF8 1/20 0.42
CYP2D6 P10635 1/20 0.40
PORCN Q9H237 1/20 0.40
TSHR P16473 2/20 0.40
TBXAS1 P24557 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ACP1 P24666 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6536350 0.83 HTT (0.71) HTTADH5KMT2AMAPTALDH1A1
SCHEMBL28611383 0.76 CYP3A4 (0.50) HTTADH5KMT2AMAPTALDH1A1
SCHEMBL10480648 0.72 HTT (0.68) HTTADH5KMT2AMAPTCYP3A4
SCHEMBL5508862 0.71 TDP1 (0.44) HTTKMT2AMAPTALDH1A1CYP3A4
SCHEMBL11417041 0.69 MAPT (0.50) HTTMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL70034 0.68 PARP10 (0.70) KMT2AMAPTALDH1A1L3MBTL1MEN1
SCHEMBL25502888 0.67 HTT (0.61) HTTADH5KMT2AMAPTALDH1A1
SCHEMBL8405876 0.67 HSD17B10 (0.81) KMT2AMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL608826 0.67 ADH5 (0.67) HTTADH5KMT2AMAPTCYP3A4
SCHEMBL13019494 0.65 HSD17B10 (0.65) KMT2AMAPTALDH1A1TSHRCYP19A1

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-6713523-B2 DECOLORING DYES FUJI PHOTO FILM CO., LTD. (JP) 2004-03-30 US disclosed
US-20020168494-A1 Photopolymerizable composition and photosensitive thermal recording material FUJI PHOTO FILM CO., LTD. 2002-11-14 US disclosed