SCHEMBL22015157

SCHEMBL22015157

Cc1cccnc1NC(=O)C1Cc2ccc(N)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL12950802 1.00 KMT2A (0.46) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
SCHEMBL22014452 0.87 KMT2A (0.46) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
SCHEMBL22015172 0.85 KMT2A (0.43) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
SCHEMBL22013976 0.85 KMT2A (0.45) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
SCHEMBL22013979 0.81 KMT2A (0.44) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
SCHEMBL14818761 0.80 SMN1; SMN2 (0.57) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
SCHEMBL24982439 0.79 NPC1 (0.46) LMNARAB9ANPC1
SCHEMBL22010868 0.79 NPC1 (0.46) LMNARAB9ANPC1
SCHEMBL14502145 0.75 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL21640362 0.73 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1

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
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed