SCHEMBL6177330

SCHEMBL6177330

COc1cc(-c2ncc(C(F)(F)F)cc2OC)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 2/20 0.42
HPGD P15428 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
PTGS1 P23219 1/20 0.42
GCK P35557 1/20 0.42
GCKR Q14397 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL6177440 0.92 ALDH1A1 (0.54) DYRK1ACYP1A2CYP3A4CYP2C19ALDH1A1
Piperidine SCHEMBL27434627 0.89 ACVR1 (0.41) DYRK1ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6175108 0.86 DYRK1A (0.41) DYRK1ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6176031 0.81 IDO1 (0.46) DYRK1ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL6177633 0.77 ALDH1A1 (0.50) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL8548969 0.77 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL13347572 0.77 MAPT (0.50) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL8021431 0.75 KDM4E (0.47) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL6179883 0.74 LMNA (0.48) ALDH1A1KDM4EPOLBSMN1; SMN2HPGD
SCHEMBL6975261 0.74 MEN1 (0.60) CYP2C19ALDH1A1KDM4EPOLBSMN1; SMN2

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-0708756-B1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AG (DE) 2005-06-01 EP disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0708756-A1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed