SCHEMBL439814

SCHEMBL439814

Cc1cc(N)c2ccc(C(F)(F)F)cc2[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 10/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
GMNN O75496 4/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 4/20 0.38
APEX1 P27695 4/20 0.38
RECQL P46063 4/20 0.38
BLM P54132 4/20 0.38
PMP22 Q01453 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TP53 P04637 3/20 0.38
CYP3A4 P08684 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL11566523 0.74 KIF11 (0.39) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL6752986 0.69 BACE1 (0.38) MAPTALDH1A1KDM4EKIF11ATM
SCHEMBL438965 0.68 PARP1 (0.39) PRKCAMAPTALDH1A1MEN1GMNN
SCHEMBL378246 0.66 ALDH1A1 (0.52) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL31312323 0.65 KIF11 (0.35) MAPTHSD17B10KIF11ATM
SCHEMBL330442 0.64 ALDH1A1 (0.50) MAPTALDH1A1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL6062984 0.64 ALDH1A1 (0.50) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL11689624 0.63 ALDH1A1 (0.48) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL2799236 0.62 L3MBTL1 (0.40) MAPTMEN1KMT2ANPSR1CYP3A4
SCHEMBL11818712 0.61 PTPN5 (0.35) ALDH1A1TSHRMAPK1KIF11ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed