SCHEMBL6284788

SCHEMBL6284788

Cc1ccc(C[NH])cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP2C9 P11712 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL2090687 0.80 SLC6A2 (0.47) ESR1ESR2PTGS1PTGS2
SCHEMBL2006293 0.80 ESR1 (0.68) ALDH1A1ESR1ESR2MAPTCYP1A2
SCHEMBL29597103 0.80 PTGS1 (0.45) ALDH1A1ESR1ESR2LMNAHTT
SCHEMBL31371688 0.80 ESR1 (0.61) ALDH1A1ESR1ESR2LMNAHTT
SCHEMBL311370 0.80 PTGS1 (0.45) ALDH1A1ESR1ESR2LMNAHTT
SCHEMBL30876036 0.80 ESR1 (0.61) ALDH1A1ESR1ESR2LMNAHTT
SCHEMBL29380988 0.80 PTGS1 (0.45) ALDH1A1ESR1ESR2LMNAHTT
SCHEMBL311076 0.80 ESR1 (0.61) ALDH1A1ESR1ESR2LMNAHTT
SCHEMBL270167 0.78 TRPA1 (0.48) ALDH1A1ESR1ESR2LMNAHTT
SCHEMBL29441542 0.78 TRPA1 (0.48) ALDH1A1ESR1ESR2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019367-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-19 EP claimed
WO-1999007672-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-02-18 WO claimed
US-6933288-B2 Pyranosyl cytosines: pharmaceutical formulations and methods ISIS PHARMACEUTICALS, INC. 2005-08-23 US disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-1019367-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-19 EP disclosed
WO-1999007672-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-02-18 WO disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed