SCHEMBL19985959

SCHEMBL19985959

c1ccc2c(c1)oc1cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cc3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.33
PRKDC P78527 1/20 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
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 1/20 0.31
ESR1 P03372 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
SCHEMBL19985975 0.94 KDM4E (0.32) ESR2NPC1RAB9AKDM4EMEN1
SCHEMBL19985911 0.92 PRKDC (0.33) ESR2PRKDCAHRMAPT
SCHEMBL19985947 0.91 ESR2 (0.36) ESR2AHRKDM4EMEN1ALDH1A1
SCHEMBL19991914 0.90 PRKDC (0.35) PRKDC
SCHEMBL17246644 0.90 ESR2 (0.33) ESR2PRKDCMMP12MMP13NPC1
SCHEMBL19985908 0.88 TP53 (0.32) ATMKDM4EMAPT
SCHEMBL19985926 0.87 MAPT (0.34) ESR2NPC1RAB9AAHRKDM4E
SCHEMBL26476573 0.87 PRKDC (0.36) ESR2PRKDCMMP12MMP13NPC1
SCHEMBL19985962 0.86 ALDH1A1 (0.35) RAB9AALDH1A1MAPTHPGD
SCHEMBL17228972 0.86 ESR2 (0.36) ESR2PRKDCAHRKDM4EMEN1

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 2 patents. 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
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