SCHEMBL16891682

SCHEMBL16891682

Cc1n[nH]c(C)c1CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL16892246 0.82 P2RX7 (0.49) P2RX7MEN1LMNAKMT2APDE4D
SCHEMBL2830618 0.82 MEN1 (0.51) P2RX7MEN1LMNAKMT2APDE4D
Hydrochloric Acid SCHEMBL1375056 0.80 MEN1 (0.50) P2RX7MEN1LMNAKMT2APDE4D
SCHEMBL2824242 0.79 P2RX7 (0.55) P2RX7
SCHEMBL16887647 0.78 LMNA (0.47) P2RX7MEN1LMNAKMT2APDE4D
SCHEMBL16886378 0.77 P2RX7 (0.46) P2RX7MEN1LMNAKMT2APDE4D
SCHEMBL16891859 0.77 P2RX7 (0.56) P2RX7KDM4EMAPK1
SCHEMBL508982 0.77 AR (0.51) P2RX7MEN1LMNAKMT2APDE4D
SCHEMBL509207 0.76 PDE4D (0.56) P2RX7MEN1LMNAKMT2APDE4D
Oxalic Acid SCHEMBL245186 0.73 LMNA (0.47) P2RX7MEN1LMNAKMT2APDE4D

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-2015103508-A1 CARBOCYCLIC SULFONE RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed