SCHEMBL7609997

SCHEMBL7609997

FC(F)(F)N(Cl)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.32
PDK2 Q15119 2/20 0.32
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2A6 P11509 2/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL10656728 0.79 TSHR (0.41) TSHRLMNAALDH1A1PDK2CYP1A2
SCHEMBL10451332 0.76 ALDH1A1 (0.36) TSHRLMNAALDH1A1HSD11B1
SCHEMBL28344467 0.73 TSHR (0.45) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL27097039 0.73 TSHR (0.45) TSHRLMNAALDH1A1CYP1A2CYP2C19
SCHEMBL11206197 0.73 TSHR (0.45) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL8489033 0.72 TSHR (0.35) TSHRLMNAALDH1A1PDK2CYP1A2
SCHEMBL8074942 0.72 TSHR (0.35) TSHRLMNA
SCHEMBL174758 0.72 TSHR (0.50) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL27486616 0.70 TSHR (0.47) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL7654371 0.70 TSHR (0.47) TSHRLMNAALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726252-B1 Process for the preparation of N-substituted cyclic imides BAYER AG (DE) 2002-04-17 EP disclosed
US-5773630-A REACTION OF ANHYDRIDE WITH PRIMARY AMINE TO FORM CYCLIC IMIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed
EP-0726252-A1 Process for the preparation of N-substituted cyclic imides BAYER AG (DE) 1996-08-14 EP disclosed
EP-0527314-B1 Process for the preparation of 2-aryl-2H-1,2,3-triazoles LONZA AG (CH) 1994-09-07 EP disclosed
US-5258523-A Process for the production of 2-aryl-2H-1,2,3-triazoles LONZA LTD. (CH) 1993-11-02 US disclosed
EP-0527314-A1 Process for the preparation of 2-aryl-2H-1,2,3-triazoles LONZA AG (CH) 1993-02-17 EP disclosed