SCHEMBL21783688

SCHEMBL21783688

Cc1nn(C2COC2)c2c(C)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
SPR P35270 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 0.32
SSTR4 P31391 1/20 0.32
PDE1A P54750 4/20 0.32
PDE1B Q01064 4/20 0.32
PDE1C Q14123 4/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HCRTR1 O43613 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MPO P05164 1/20 0.32
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
SCHEMBL21783696 0.82 SPR (0.33) KDM4ESPRPDE1APDE1BPDE1C
SCHEMBL19255291 0.81 HPGD (0.47) KDM4EALDH1A1ESR1
SCHEMBL25858587 0.73 CRBN (0.55) BRD4
SCHEMBL25864330 0.72 DDB1 (0.56)
SCHEMBL21536160 0.72 ADRA2A (0.47) KDM4EALKBH5FTOCYP1A2PDE1A
SCHEMBL15339576 0.69 KDM4E (0.39) KDM4ESPRBRD4BRD2BRD3
SCHEMBL20215514 0.69 ALKBH5 (0.46) KDM4EALKBH5FTOCYP1A2CYP2A6
SCHEMBL26067491 0.67 CRBN (0.50) CYP1A2ALDH1A1
SCHEMBL23535643 0.67 MAPT (0.41) SPRBRD4BRD2BRD3PDE1B
SCHEMBL17232698 0.67 RBP4 (0.44) PDE1APDE1BPDE1CALDH1A2ALDH1A1

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-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed