SCHEMBL14101792

SCHEMBL14101792

O=c1c2c(c(-c3cccs3)nn1-c1cc(N3CCCC3)ccc1C(F)(F)F)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
MAPK1 P28482 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PARP1 P09874 2/20 0.38
MAPT P10636 5/20 0.36
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
AR P10275 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
CNR1 P21554 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL4723472 0.88 P2RX7 (0.39) NOTUMALDH1A1PARP1MEN1KMT2A
SCHEMBL4723471 0.88 P2RX7 (0.39) NOTUMALDH1A1PARP1MEN1KMT2A
SCHEMBL4720254 0.86 PARP1 (0.39) MAPK1ALDH1A1KDM4EL3MBTL1PARP1
SCHEMBL14101736 0.83 NOTUM (0.37) NOTUMMAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL14101711 0.83 MAPT (0.42) NOTUMMAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL14101882 0.82 KDM4E (0.39) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL14101794 0.82 PTGS2 (0.42) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL14101783 0.82 NOTUM (0.38) NOTUMMAPK1ALDH1A1MAPTHTT
SCHEMBL14101706 0.82 MAPT (0.38) NOTUMMAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL14101895 0.81 P2RX7 (0.38) NOTUMMAPK1ALDH1A1KDM4EMAPT

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed