SCHEMBL21670552

SCHEMBL21670552

COc1ccccc1-c1cc(-c2ccc(-c3ccccc3)cc2Nc2ccc(C)cc2)cc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.49
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
STK10 O94804 1/20 0.42
SLK Q9H2G2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
AGPAT2 O15120 3/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30525975 1.00 ACP1 (0.49) ACP1MAPTPOLBLMNATP53
SCHEMBL21670575 0.97 ACP1 (0.48) ACP1MAPTPOLBLMNATP53
SCHEMBL29048668 0.97 ACP1 (0.48) ACP1MAPTPOLBLMNATP53
SCHEMBL30526044 0.97 ACP1 (0.48) ACP1MAPTPOLBLMNATP53
SCHEMBL28882544 0.88 ACP1 (0.40) ACP1MAPTLMNATP53ADORA3
SCHEMBL6264546 0.84 AGPAT2 (0.50) ACP1MAPTPOLBLMNAADORA3
SCHEMBL21670542 0.83 STK10 (0.49) ACP1MAPTLMNATP53ADORA3
SCHEMBL30525998 0.83 STK10 (0.49) ACP1MAPTLMNATP53ADORA3
SCHEMBL8619060 0.80 MAPT (0.57) ACP1MAPTPOLBLMNATP53
SCHEMBL21670529 0.79 CYP1A2 (0.49) LMNAADORA3STK10SLKALDH1A1

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
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
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN 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