SCHEMBL6861334

SCHEMBL6861334

Cc1c(OCCCl)ccnc1CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
CYP2C9 P11712 4/20 0.35
WDR5 P61964 4/20 0.35
KMT2A Q03164 4/20 0.35
ENGASE Q8NFI3 3/20 0.35
DDAH1 O94760 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
HPGD P15428 2/20 0.35
TBXA2R P21731 2/20 0.35
NPY1R P25929 2/20 0.35
ADORA1 P30542 2/20 0.35
OPRM1 P35372 2/20 0.35
HTR3A P46098 2/20 0.35
FASN P49327 2/20 0.35
SARM1 Q6SZW1 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
HTR1A P08908 1/20 0.35
IDE P14735 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
Hydrochloric Acid SCHEMBL8500365 0.98 MAPT (0.34) MAPTCYP2C9WDR5KMT2AENGASE
SCHEMBL6872706 0.93 MAPT (0.38) MAPTCYP2C9WDR5KMT2AENGASE
SCHEMBL8502115 0.90 L3MBTL1 (0.33) MAPTCYP2C9WDR5KMT2AENGASE
Hydrochloric Acid SCHEMBL6865752 0.90 MAPT (0.36) MAPTCYP2C9WDR5KMT2AENGASE
SCHEMBL31515444 0.88 L3MBTL1 (0.36) MAPTCYP2C9WDR5KMT2AENGASE
SCHEMBL8500700 0.86 LOX (0.36) MAPTCYP2C9WDR5KMT2AENGASE
SCHEMBL8551045 0.86 ALDH1A1 (0.41) MAPTCYP2C9WDR5KMT2AENGASE
SCHEMBL27971566 0.86 CYP2C9 (0.40) MAPTCYP2C9WDR5KMT2AENGASE
Hydrochloric Acid SCHEMBL10713305 0.86 ALDH1A1 (0.39) MAPTCYP2C9WDR5KMT2AENGASE
SCHEMBL8503337 0.85 CYP2C9 (0.36) MAPTCYP2C9WDR5KMT2AENGASE

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-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed