SCHEMBL19936645

SCHEMBL19936645

COCc1cc(-c2ccc(C)cc2C)nn1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.41
TLR8 Q9NR97 2/20 0.40
ALPL P05186 2/20 0.38
CRHR1 P34998 2/20 0.38
CA9 Q16790 1/20 0.38
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.32
RIPK1 Q13546 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL24378624 0.77 CYP11B1 (0.45) ESRRATLR8CYP11B1CYP11B2L3MBTL1
SCHEMBL19936632 0.73 HSP90AA1 (0.45) CRHR1
SCHEMBL3436659 0.72 ACHE (0.40) ESRRACRHR1MAPTTP53KDM4E
SCHEMBL8270922 0.70 FFAR1 (0.40) RIPK1SMN1; SMN2
SCHEMBL19936484 0.70 ALDH1A1 (0.37) CRHR1MAPTLMNATP53KDM4E
SCHEMBL3435957 0.69 CA9 (0.55) ESRRATLR8ALPLCA9MAPT
SCHEMBL10049093 0.68 CRHR1 (0.38) TLR8ALPLCRHR1CA9MAPT
SCHEMBL3448871 0.67 KMT2A (0.42) ESRRATLR8ALPLCRHR1CA9
SCHEMBL18436578 0.65 RIPK1 (0.34) RIPK1SMN1; SMN2KDM4E
SCHEMBL32667294 0.65 RIPK1 (0.34) RIPK1

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-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed