SCHEMBL9601727

SCHEMBL9601727

CCCCCCc1c(C#N)c(C#N)c2ccccc2c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TLR8 Q9NR97 4/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APAF1 O14727 1/20 0.40
LMNA P02545 1/20 0.40
NOD2 Q9HC29 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL29207956 0.75 TLR8 (0.49) MAPTHSD17B10HPGDKDM4EALDH1A1
SCHEMBL8958355 0.74 MAPT (0.50) MAPTHSD17B10TSHRHPGDKDM4E
SCHEMBL9664897 0.74 KDM4E (0.51) MAPTHSD17B10HPGDKDM4EALDH1A1
SCHEMBL9602680 0.74 MAPT (0.46) MAPTHSD17B10TSHRHPGDKDM4E
SCHEMBL27877619 0.73 KDM4E (0.42) MAPTHSD17B10HPGDKDM4EALDH1A1
SCHEMBL27779196 0.73 MAPT (0.42) MAPTHSD17B10HPGDKDM4EALDH1A1
SCHEMBL9469739 0.73 MAPT (0.42) MAPTHSD17B10HPGDKDM4EALDH1A1
SCHEMBL5252145 0.73 ALDH1A1 (0.46) MAPTHSD17B10TSHRHPGDKDM4E
SCHEMBL14888955 0.73 TLR8 (0.53) MAPTHSD17B10HPGDKDM4EALDH1A1
SCHEMBL11148331 0.73 TLR8 (0.53) MAPTHSD17B10HPGDKDM4EALDH1A1

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-0313943-B1 1,2-NAPHTALOCYANINE NEAR-INFRARED ABSORBENT AND RECORDING/DISPLAY MATERIALS USING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-4960538-A LIGHT, WEATHER, THERMAL RESISTANCE MITSUI TOATSU CHEMICALS, INC (JP) 1990-10-02 US disclosed
EP-0313943-A2 1,2-naphtalocyanine near-infrared absorbent and recording/display materials using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-05-03 EP disclosed