SCHEMBL8007432

SCHEMBL8007432

CC(C)Oc1cnc2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HPGD P15428 1/20 0.36

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
SCHEMBL8006806 0.96 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6177633 0.79 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6177219 0.73 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6176107 0.70 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6180406 0.70 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6177440 0.70 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6176284 0.69 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6175342 0.69 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6975261 0.69 MEN1 (0.60) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL10637774 0.69 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPTHTT

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
US-6165941-A Substituted 2-phenylpyridines BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
CN-1127507-A Substituted 2-fused phenylpyridines with herbicidal activity BASF AG (DE) 1996-07-24 CN disclosed
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed