SCHEMBL20217409

SCHEMBL20217409

COCCN1CCC(Oc2ccc(C(=N)c3cc(C(=O)NC(COC)c4ccccc4)ccc3N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SLC5A7 Q9GZV3 2/20 0.44
PKM P14618 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NAMPT P43490 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
P2RY12 Q9H244 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL20217564 0.95 LMNA (0.43) LMNAALDH1A1SLC5A7PKMOPRM1
SCHEMBL20217268 0.89 MEN1 (0.47) LMNAALDH1A1SLC5A7PKMOPRM1
SCHEMBL20217283 0.86 CCR3 (0.42) LMNAALDH1A1SLC5A7PKMOPRM1
SCHEMBL20217729 0.84 F10 (0.44) LMNAALDH1A1SLC5A7PKMROCK2
SCHEMBL20217304 0.84 F10 (0.44) LMNAALDH1A1SLC5A7PKMROCK2
SCHEMBL20217296 0.81 TTK (0.50) LMNAALDH1A1SLC5A7PKMOPRM1
SCHEMBL20217562 0.80 LMNA (0.45) LMNAALDH1A1OPRM1OPRD1KMT2A
SCHEMBL20217221 0.80 TTK (0.51) LMNAALDH1A1SLC5A7PKMKMT2A
SCHEMBL20217547 0.79 POLB (0.41) LMNAALDH1A1SLC5A7PKMKMT2A
SCHEMBL14873369 0.79 CYP3A4 (0.62) LMNAALDH1A1SLC5A7PKMROCK2

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed