SCHEMBL9602949

SCHEMBL9602949

CCCCCCCCc1cc2ccc(C(C)(C)C)cc2c(C#N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.43
HTR1D P28221 4/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
TLR8 Q9NR97 4/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL9602680 0.80 MAPT (0.46) TSHRHSD17B10TLR8MAPTMEN1
SCHEMBL28171463 0.78 TLR8 (0.46) TSHRHSD17B10TLR8MAPTCYP3A4
SCHEMBL29120665 0.75 GHSR (0.45) GHSRTSHRHSD17B10MAPTMEN1
SCHEMBL7717377 0.72 TSHR (0.49) TSHRHSD17B10MAPTMEN1TP53
SCHEMBL7573674 0.72 TSHR (0.49) TSHRHSD17B10MAPTMEN1TP53
SCHEMBL5309215 0.72 TSHR (0.49) TSHRHSD17B10MAPTMEN1TP53
SCHEMBL8920946 0.72 TSHR (0.49) TSHRHSD17B10MAPTMEN1TP53
SCHEMBL16117998 0.69 KIF11 (0.42) HSD17B10MAPTMEN1CYP3A4KMT2A
SCHEMBL28014094 0.69 TSHR (0.44) TSHRHSD17B10MAPTMEN1TP53
SCHEMBL27758201 0.68 TSHR (0.43) TSHRHSD17B10MAPTMEN1TP53

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