SCHEMBL8958355

SCHEMBL8958355

CCCCCc1c(C#N)c(C#N)c(CCCCC)c(CCCCC)c1CCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 7/20 0.38
KDM4E B2RXH2 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 8/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP19A1 P11511 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 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
SCHEMBL5679424 0.79 TSHR (0.50) HSD17B10TSHRHPGDKDM4ENPSR1
SCHEMBL24988085 0.79 MAPT (0.49) MAPTHSD17B10TSHRHPGDKDM4E
SCHEMBL10880958 0.77 MAPT (0.51) MAPTHSD17B10TSHRHPGDKDM4E
SCHEMBL17008157 0.76 TSHR (0.57) HSD17B10TSHRKDM4EALDH1A1LMNA
SCHEMBL12541791 0.76 MAPT (0.47) MAPTHSD17B10TSHRHPGDKDM4E
SCHEMBL4206914 0.76 MAPT (0.54) MAPTHSD17B10TSHRHPGDKDM4E
SCHEMBL5309215 0.71 TSHR (0.49) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL8920946 0.71 TSHR (0.49) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL7573674 0.71 TSHR (0.49) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL7717377 0.71 TSHR (0.49) MAPTHSD17B10TSHRKDM4EALDH1A1

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
US-5582774-A PHTHALOCYANINE DERIVATIVE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-12-10 US disclosed
US-5446141-A Optical recording media, filters, liquid crystals display MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-08-29 US disclosed
EP-0337209-B1 ALKYLPHTHALOCYANINE NEAR-INFRARED ABSORBERS AND RECORDING/DISPLAY MATERIALS USING THE SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-5024926-A Heat, light, weather resistance; for optical recording media, filters, liquid crystal displays MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-18 US disclosed
EP-0337209-A2 Alkylphthalocyanine near-infrared absorbers and recording/display materials using the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-10-18 EP disclosed