SCHEMBL5019488

SCHEMBL5019488

C/C=C(N[C@@H](C)c1cc2ccccc2c(CCN2CCOCC2)n1)\C(C)=N\C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGDS O60760 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.35
SMARCA2 P51531 2/20 0.35
CNR1 P21554 6/20 0.34
CNR2 P34972 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ACP1 P24666 2/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ERN1 O75460 1/20 0.33

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
SCHEMBL3699152 0.71 LMNA (0.39) KMT2AHTTNPSR1HPGDSLMNA
SCHEMBL3699149 0.71 LMNA (0.39) KMT2AHTTNPSR1HPGDSLMNA
SCHEMBL4569348 0.70 SYK (0.36) KMT2AHTTLMNAKDM4ESMARCA2
SCHEMBL5019523 0.68 AVPR1B (0.35) HTTNPSR1LMNASIGMAR1
SCHEMBL16412325 0.64 AVPR1B (0.39) CNR1CNR2
SCHEMBL4569341 0.63 PIK3CD (0.45) KMT2AMAPTHTTLMNAKDM4E
SCHEMBL15306521 0.63 AVPR1B (0.39) CNR1CNR2
SCHEMBL15336733 0.62 PIK3R2 (0.38)
SCHEMBL3696676 0.62 PIK3CD (0.48)
SCHEMBL4535138 0.61 SIGMAR1 (0.41) CNR1SIGMAR1

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-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed