SCHEMBL22671900

SCHEMBL22671900

c1ccc(-c2cccc(N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.35
▸ F9 P00740 1/20 0.34
▸ LIMK1 P53667 1/20 0.32
▸ APP P05067 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ SLC9A1 P19634 1/20 0.31
▸ BRDT Q58F21 1/20 0.31
▸ 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
SCHEMBL24472159 0.94 F9 (0.37) PTPN1F9LIMK1APPALOX5
SCHEMBL24472156 0.93 F9 (0.38) PTPN1F9LIMK1APPALOX5
SCHEMBL17660165 0.90 ALOX5 (0.36) PTPN1F9LIMK1APPALOX5
SCHEMBL22671298 0.89 ALDH1A1 (0.34) PTPN1F9LIMK1APPALOX5
SCHEMBL15179758 0.88 F9 (0.39) PTPN1F9LIMK1APPALOX5
SCHEMBL17660144 0.88 ALOX5 (0.38) PTPN1F9LIMK1APPALOX5
SCHEMBL17660160 0.88 ALOX5 (0.38) PTPN1F9LIMK1APPALOX5
SCHEMBL17931562 0.88 LIMK1 (0.39) PTPN1F9LIMK1APPALOX5
SCHEMBL24919464 0.87 S1PR5 (0.38) F9LIMK1APP
SCHEMBL23224766 0.87 CA12 (0.40) F9LIMK1ALOX5SLC9A1

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-20200365814-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2020-11-19 — — US disclosed
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