SCHEMBL9635880

SCHEMBL9635880

O=C(O)c1ccccc1C(=O)c1cccc(C2CCNC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
JAK3 P52333 1/20 0.41
CDC25B P30305 1/20 0.40
PARP1 P09874 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRKCB P05771 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCE Q02156 2/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
PRKCH P24723 1/20 0.38

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
SCHEMBL10784543 0.89 JAK3 (0.45) CYP3A4CYP2C9KMT2AJAK3CDC25B
SCHEMBL1663055 0.83 JAK3 (0.49) CYP2C9JAK3PARP1CYP2D6SLC6A2
SCHEMBL4213803 0.83 JAK3 (0.49) CYP2C9JAK3PARP1CYP2D6SLC6A2
SCHEMBL30776200 0.83 JAK3 (0.49) CYP2C9JAK3PARP1CYP2D6SLC6A2
SCHEMBL6602202 0.81 TSHR (0.45) JAK3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL21145876 0.81 PARP1 (0.42) JAK3PARP1CYP2D6SLC6A2SLC6A4
SCHEMBL16446714 0.77 PARP1 (0.49) KMT2AJAK3PARP1CYP2D6SLC6A2
SCHEMBL4878097 0.74 HTR2C (0.53) CYP2C9CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL28034437 0.73 ALDH1A1 (0.50) CYP3A4CYP2C9KMT2A
SCHEMBL30689750 0.73 ALDH1A1 (0.50) CYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149689-A Fluoran color former mixture and use thereof in recording materials CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0266311-B1 FLUORAN DYE MIXTURE AND ITS USE IN RECORDING MATERIALS CIBA-GEIGY AG (CH) 1992-06-17 EP disclosed
US-5071480-A FLUORAN COLOR FORMER MIXTURE AND USE THEREOF IN RECORDING MATERIALS CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-4639750-A 2-AND/OR 6-PYRIDYLETHYLAMINO-SUBSTITUTED FLUORANS AS COLOR FORMERS FOR DUPLICATIONG AND MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL COMPANY (US) 1987-01-27 US disclosed
US-4594601-A Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1986-06-10 US disclosed
EP-0110366-A2 Pyridylethylaminofluorans STERLING DRUG INC. (US) 1984-06-13 EP disclosed
US-4447616-A FLUORAN COLOR FORMER INTERMEDIATES STERLING DRUG INC. (US) 1984-05-08 US disclosed