SCHEMBL438965

SCHEMBL438965

Cc1cc(N)c2cccc(C(F)(F)F)c2[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
PRKCA P17252 10/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
MAPT P10636 5/20 0.34
NPSR1 Q6W5P4 5/20 0.34
MEN1 O00255 5/20 0.34
LMNA P02545 5/20 0.34
POLB P06746 5/20 0.34
KMT2A Q03164 5/20 0.34
GMNN O75496 4/20 0.34
APEX1 P27695 4/20 0.34
RECQL P46063 4/20 0.34
BLM P54132 4/20 0.34
PMP22 Q01453 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
CYP3A4 P08684 3/20 0.34
HSD17B10 Q99714 3/20 0.34

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
SCHEMBL439814 0.68 PRKCA (0.38) PRKCASMN1; SMN2MAPTNPSR1MEN1
SCHEMBL30604783 0.64 KCNH2 (0.46) LMNAKMT2AKDM4EALDH1A1TP53
SCHEMBL30604781 0.64 KCNH2 (0.46) LMNAKMT2AKDM4EALDH1A1TP53
SCHEMBL4082855 0.63 ALDH1A1 (0.59) PARP1SMN1; SMN2MAPTMEN1LMNA
SCHEMBL330603 0.63 TSHR (0.56) PARP1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL31690948 0.62 NR4A2 (0.47) PARP1LMNATDP1KDM4EALDH1A1
SCHEMBL17448504 0.62 AXL (0.40) PARP1SMN1; SMN2MEN1LMNAPOLB
Benzene SCHEMBL28248705 0.62 TSHR (0.54) PARP1SMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL6674297 0.61 BACE1 (0.37) MEN1KMT2ARECQLALDH1A1HSD17B10
SCHEMBL16749033 0.61 FFAR4 (0.38) PARP1SMN1; SMN2POLBHSD17B10TSHR

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