SCHEMBL21370484

SCHEMBL21370484

C=C1/C=C(C)\C=C/N(C)c2ccccc2-c2ccccc2C1=C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL10105233 0.75 NPC1 (0.38) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL1822854 0.68 BRD4 (0.41) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL20385007 0.67 NPC1 (0.33) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL16867577 0.64 NPC1 (0.36) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL5175484 0.62 TTR (0.50) KDM4ENPC1ALDH1A1MAPTHTT
SCHEMBL13061952 0.61 MAPT (0.49) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL10625407 0.61 MAPT (0.46) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL10625415 0.61 MAPT (0.46) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL28531443 0.61 GPR3 (0.48) KDM4ENPC1ALDH1A1MAPTHTT
SCHEMBL19792450 0.59 TTR (0.47) KDM4EMEN1NPC1ALDH1A1POLB

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-2019174139-A1 N-SUBSTITUTED DIBENZOCARBAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 大连理工大学 2019-09-19 WO disclosed