SCHEMBL7841174

SCHEMBL7841174

COC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.49
MAPT P10636 5/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 1/20 0.49
TNIK Q9UKE5 2/20 0.47
SNCA P37840 2/20 0.47
ALPL P05186 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
MAP2K4 P45985 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL26094639 0.86 MAP2K4 (0.56) MAPTRAB9ANPC1MAPK1ALPL
SCHEMBL26915274 0.85 MAPT (0.46) RAF1MAPTRAB9ANPC1MAPK1
SCHEMBL14985491 0.84 GAA (0.63) MAPTRAB9ANPC1MAPK1ALPL
SCHEMBL8364912 0.82 KMT2A (0.54) RAF1MAPTRAB9ANPC1MAPK1
SCHEMBL17279929 0.82 PRKD1 (0.54) RAF1MAPTRAB9ANPC1MAPK1
SCHEMBL26915302 0.81 MAPT (0.50) MAPTRAB9ANPC1MAPK1ALPL
SCHEMBL9976034 0.80 RAB9A (0.77) MAPTRAB9ANPC1MAPK1ALPL
SCHEMBL14872141 0.80 LMNA (0.52) MAPTLMNAKDM4E
SCHEMBL13063663 0.79 LMNA (0.56) MAPTLMNA
SCHEMBL2271347 0.79 LMNA (0.56) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150958-A1 SUBSTITUTED PYRAZOLE CARBOXYLIC ACIDS USED TO COMBAT ANAEMIAS Bayer Aktiengesellschaft (DE) 2001-11-07 EP disclosed
WO-2000046208-A1 SUBSTITUTED PYRAZOLE CARBOXYLIC ACIDS USED TO COMBAT ANAEMIAS BAYER AKTIENGESELLSCHAFT (DE) 2000-08-10 WO disclosed