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SCHEMBL19646318

SCHEMBL19646318

C=C/C=C\c1c(C)n(-c2ccc(-c3ccccc3)cc2)c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 1/20 0.33
▸ OXTR P30559 1/20 0.31
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ RXRA P19793 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
SCHEMBL20989408 0.98 AVPR1A (0.35) AVPR1AKDM4EATML3MBTL1
SCHEMBL18639104 0.96 L3MBTL1 (0.34) AVPR1AKDM4EATML3MBTL1
SCHEMBL24398524 0.93 AVPR1A (0.31) AVPR1A
SCHEMBL23239729 0.91 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL19658790 0.89 KDM4E (0.33) AVPR1AKDM4EATML3MBTL1
SCHEMBL21162995 0.88 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL19993501 0.88 KDM4E (0.39) AVPR1AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24531663 0.87 — —
SCHEMBL18060058 0.87 HSD17B10 (0.30) KDM4EATML3MBTL1
SCHEMBL21022951 0.87 — —

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-9831437-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-11-28 — — US disclosed