SCHEMBL19986064

SCHEMBL19986064

c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5oc4c32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.33
PRKDC P78527 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
HCRTR1 O43613 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL19986087 0.93 PLA2G2A (0.34) AHRALOX5ALDH1A1MEN1KMT2A
SCHEMBL19986033 0.93 PLA2G2A (0.33) ALOX5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19986025 0.92 PLA2G2A (0.35) ALOX5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19986077 0.91 NPC1 (0.35) AHRPRKDCALOX5ALDH1A1MEN1
SCHEMBL19986057 0.91 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AKDM4ERXFP1
SCHEMBL19986008 0.90 PLA2G2A (0.35) ALDH1A1MEN1KMT2AKDM4ERXFP1
SCHEMBL19986038 0.89 KDM4E (0.38) ALDH1A1MEN1KMT2AKDM4ERXFP1
SCHEMBL19991991 0.89 PRKDC (0.33) PRKDCALOX5
SCHEMBL19986085 0.88 AHR (0.38) AHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL19986055 0.88 TDP1 (0.34) AHRALDH1A1KDM4EMAPTHPGD

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed