SCHEMBL440068

SCHEMBL440068

Nc1c(C(=O)O)cnc2c(Cl)ccc(Cl)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.63
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 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
SCHEMBL442158 0.88 HAVCR2 (0.54) HAVCR2KDM4EKMT2AALDH1A1MAPT
SCHEMBL439833 0.84 HAVCR2 (0.53) HAVCR2KDM4EKMT2AALDH1A1MAPT
SCHEMBL435825 0.84 HAVCR2 (0.50) HAVCR2KDM4EKMT2AALDH1A1MAPT
SCHEMBL437796 0.78 NPC1 (0.54) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL436716 0.78 HAVCR2 (1.00) HAVCR2KDM4EKMT2AALDH1A1MAPT
SCHEMBL439785 0.78 HAVCR2 (0.68) HAVCR2KDM4EKMT2AALDH1A1MAPT
SCHEMBL437260 0.76 HAVCR2 (0.67) HAVCR2KDM4EKMT2AALDH1A1MAPT
SCHEMBL437555 0.76 HAVCR2 (0.38) HAVCR2SMN1; SMN2TSHR
SCHEMBL438132 0.73 GABRP (0.49) HAVCR2KDM4EKMT2AALDH1A1MAPT
SCHEMBL436994 0.73 HAVCR2 (0.48) HAVCR2KDM4EKMT2AALDH1A1MAPT

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