SCHEMBL21670536

SCHEMBL21670536

CCOc1ccccc1-c1cc(-c2ccc(Nc3ccccc3)cc2)cc(-c2ccccc2OCC)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ENPP1 P22413 2/20 0.45
ENPP3 O14638 1/20 0.45
PDE10A Q9Y233 1/20 0.44
PTPRC P08575 1/20 0.43
DHFR P00374 1/20 0.43
TP53 P04637 1/20 0.43
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PDE3A Q14432 1/20 0.41
ABL1 P00519 2/20 0.40

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
SCHEMBL30525972 1.00 AGPAT2 (0.48) AGPAT2MEN1KMT2AATMENPP1
SCHEMBL21670546 0.92 ENPP3 (0.55) AGPAT2MEN1KMT2AATMENPP1
SCHEMBL21670583 0.89 ENPP1 (0.41) AGPAT2MEN1KMT2AATMENPP1
SCHEMBL30525963 0.89 ENPP1 (0.41) AGPAT2MEN1KMT2AATMENPP1
SCHEMBL21670526 0.89 KMT2A (0.44) AGPAT2MEN1KMT2AATMPDE10A
SCHEMBL30525956 0.89 KMT2A (0.44) AGPAT2MEN1KMT2AATMPDE10A
SCHEMBL30525979 0.88 KDM4E (0.52) AGPAT2KMT2ATP53KDM4E
SCHEMBL21670540 0.88 KDM4E (0.52) AGPAT2KMT2ATP53KDM4E
SCHEMBL29048635 0.87 MAPK10 (0.49) AGPAT2MEN1KMT2AATMENPP1
SCHEMBL21670516 0.86 ENPP3 (0.46) AGPAT2MEN1KMT2AATMENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608386-B1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN PILOT INK CO LTD (JP) 2025-02-19 EP disclosed
US-11060018-B2 Reversibly thermochromic composition and reversibly thermochromic microcapsule pigment encapsulating the same THE PILOT INK CO., LTD. (JP) 2021-07-13 US disclosed
US-20200048542-A1 REVERSIBLY THERMOCHROMIC COMPOSITION AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT ENCAPSULATING THE SAME THE PILOT INK CO., LTD. (JP) 2020-02-13 US disclosed
EP-3608386-A1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN The Pilot Ink Co., Ltd (JP) 2020-02-12 EP disclosed