SCHEMBL9602680

SCHEMBL9602680

CCCCCCCCc1cc2ccccc2c(C#N)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TLR8 Q9NR97 4/20 0.44
LIPG Q9Y5X9 1/20 0.41
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
KCNH2 Q12809 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
SCHEMBL28171463 0.98 TLR8 (0.46) MAPTTLR8LIPGHSD17B10ALDH1A1
SCHEMBL9602949 0.80 GHSR (0.43) MAPTTLR8HSD17B10KDM4EHPGD
SCHEMBL27779196 0.78 MAPT (0.42) MAPTTLR8HSD17B10ALDH1A1KDM4E
SCHEMBL27758163 0.78 ANPEP (0.45) MAPTTLR8LIPGHSD17B10ALDH1A1
SCHEMBL9601688 0.77 TLR8 (0.49) MAPTTLR8ALDH1A1GAAHPGD
SCHEMBL8920946 0.77 TSHR (0.49) MAPTLIPGHSD17B10ALDH1A1KDM4E
SCHEMBL5309215 0.77 TSHR (0.49) MAPTLIPGHSD17B10ALDH1A1KDM4E
SCHEMBL7573674 0.77 TSHR (0.49) MAPTLIPGHSD17B10ALDH1A1KDM4E
SCHEMBL7717377 0.77 TSHR (0.49) MAPTLIPGHSD17B10ALDH1A1KDM4E
SCHEMBL6910507 0.77 ANPEP (0.44) MAPTTLR8ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2215760-A None JP disclosed
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
JP-H02215760-A NEW NAPHTHALENEDICARBONITRILE COMPOUND MITSUI TOATSU CHEM INC 1990-08-28 JP 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