SCHEMBL18799863

SCHEMBL18799863

Cn1nc(I)c2cc3ccccc3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
GLA P06280 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
HASPIN Q8TF76 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PDE2A O00408 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL12258287 0.79 ADORA2A (0.64) ALDH1A1KDM4ELMNACNR1CNR2
SCHEMBL5565026 0.76 GPR3 (0.44) ALDH1A1KDM4ECNR1CNR2DDB1
SCHEMBL31172010 0.76 GPR3 (0.44) ALDH1A1KDM4ECNR1CNR2DDB1
SCHEMBL11688645 0.75 L3MBTL1 (0.55) ALDH1A1KDM4ELMNAGAARAB9A
SCHEMBL11682472 0.75 KDM4E (0.39) ALDH1A1KDM4ELMNACNR1CNR2
SCHEMBL14737361 0.73 ADORA2A (0.41) ADORA2AADORA2BDDB1CRBN
SCHEMBL14737731 0.72 ADORA2A (0.44) KDM4ELMNAADORA2AADORA2BRAB9A
SCHEMBL15792236 0.71 KDM4C (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL29923672 0.71 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAGAARAB9A
SCHEMBL18799908 0.71 SLC2A1 (0.40) ALDH1A1LMNACNR1CNR2GAA

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
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed