SCHEMBL21180856

SCHEMBL21180856

C=C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-n2c3ccccc3c3cc(-c4nnc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4-c4ccccc4)ccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.37
AVPR1A P37288 1/20 0.35
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24813357 0.96 PTGER4 (0.35) PTGER4AVPR1AKDM4EATML3MBTL1
SCHEMBL20821878 0.94 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL24663013 0.93 PTGER4 (0.36) PTGER4KDM4EATML3MBTL1
SCHEMBL26051491 0.90 PTGER4 (0.35) PTGER4AVPR1AKDM4EATML3MBTL1
SCHEMBL24452286 0.88 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL23265814 0.86 KDM4E (0.35) PTGER4AVPR1AKDM4EATML3MBTL1
SCHEMBL22479890 0.86 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL20410240 0.84 AVPR1A (0.32) AVPR1AKDM4EATML3MBTL1
SCHEMBL23083168 0.84 PTGER4 (0.33) PTGER4
SCHEMBL18119634 0.83 AVPR1A (0.36) PTGER4AVPR1AHPGDSMN1; SMN2KDM4E

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-10361372-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed