SCHEMBL436434

SCHEMBL436434

Cc1cccc2c(N)c(C(=O)O)cnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.68
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
BTK Q06187 1/20 0.46
MYC P01106 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46

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
SCHEMBL438308 0.83 HAVCR2 (0.57) HAVCR2KMT2ANPC1RAB9ABTK
SCHEMBL28815874 0.83 KDM4E (0.51) HAVCR2KMT2ANPC1RAB9AMYC
SCHEMBL442207 0.82 HAVCR2 (0.65) HAVCR2KMT2ANPC1RAB9ABTK
SCHEMBL438878 0.81 KMT2A (0.71) KMT2ANPC1RAB9AKDM4ELMNA
SCHEMBL7494879 0.81 HAVCR2 (0.52) HAVCR2KMT2ANPC1RAB9AMYC
SCHEMBL436716 0.81 HAVCR2 (1.00) HAVCR2KMT2ANPC1RAB9ABTK
SCHEMBL436633 0.81 HAVCR2 (0.68) HAVCR2KMT2ANPC1RAB9ABTK
SCHEMBL437026 0.81 HAVCR2 (0.68) HAVCR2KMT2ANPC1RAB9ABTK
SCHEMBL10126289 0.81 HAVCR2 (0.68) HAVCR2BTK
SCHEMBL439862 0.81 HAVCR2 (0.63) HAVCR2KMT2AMEN1

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