SCHEMBL21451836

SCHEMBL21451836

CCOC(=O)CN1CCc2nc(C)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 7/20 0.54
▸ PDCD1 Q15116 6/20 0.54
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL31396702 0.88 CD274 (0.57) CD274PDCD1LMNASMN1; SMN2MAPT
SCHEMBL22966562 0.85 CD274 (0.51) CD274PDCD1LMNASMN1; SMN2MAPT
SCHEMBL12706735 0.85 MAPT (0.43) CD274PDCD1MAPTALDH1A1KDM4E
SCHEMBL12706734 0.84 CD274 (0.47) CD274PDCD1MAPTALDH1A1TSHR
SCHEMBL18549994 0.79 PDCD1 (0.49) CD274PDCD1LMNASMN1; SMN2MAPT
SCHEMBL31576710 0.78 CD274 (0.61) CD274PDCD1
SCHEMBL7399072 0.77 MAPT (0.61) LMNASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL18549972 0.76 CD274 (0.43) CD274PDCD1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8824760 0.76 MAPT (0.60) LMNASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL17111549 0.76 MAPT (0.46) CD274PDCD1LMNASMN1; SMN2MAPT

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-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 — — WO disclosed
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