SCHEMBL21670529

SCHEMBL21670529

COc1ccccc1-c1cc(-c2ccc(Nc3ccccc3)cc2)cc(-c2ccccc2OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C19 P33261 4/20 0.49
LMNA P02545 3/20 0.49
USP2 O75604 3/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
STK10 O94804 2/20 0.49
SLK Q9H2G2 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
CYP2C9 P11712 1/20 0.49
VCP P55072 1/20 0.48
HPGDS O60760 1/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 1/20 0.46
SQOR Q9Y6N5 1/20 0.45

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
SCHEMBL30525998 0.96 STK10 (0.49) CYP1A2CYP2D6CYP2C19LMNAUSP2
SCHEMBL21670542 0.96 STK10 (0.49) CYP1A2CYP2D6CYP2C19LMNAUSP2
SCHEMBL6264546 0.92 AGPAT2 (0.50) CYP1A2CYP2D6CYP2C19LMNAUSP2
SCHEMBL30525993 0.87 ADORA2A (0.45) CYP1A2CYP2D6CYP2C19LMNAUSP2
SCHEMBL21670539 0.87 ADORA2A (0.45) CYP1A2CYP2D6CYP2C19LMNAUSP2
SCHEMBL21670541 0.87 MEN1 (0.52) CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL30525969 0.87 MEN1 (0.52) CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL21670536 0.85 AGPAT2 (0.48) ALDH1A1AGPAT2
SCHEMBL30525972 0.85 AGPAT2 (0.48) ALDH1A1AGPAT2
SCHEMBL21670526 0.83 KMT2A (0.44) CYP1A2CYP2D6CYP2C19LMNAUSP2

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