SCHEMBL24028967

SCHEMBL24028967

c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cc4ccc5ccccc5c4c4sc5ccccc5c34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NQO2 P16083 2/20 0.34
▸ NQO1 P15559 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 3/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ TSHR P16473 2/20 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
SCHEMBL24029010 0.94 NQO2 (0.36) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24028760 0.94 NQO2 (0.36) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24029155 0.94 NQO2 (0.36) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24029159 0.94 NQO2 (0.36) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24028768 0.94 NQO2 (0.38) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24028403 0.93 LIMK1 (0.33) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24028775 0.93 KDM4E (0.36) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24029008 0.92 LIMK1 (0.34) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24029132 0.92 KDM4E (0.36) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL24028539 0.92 NQO2 (0.38) MAPTSMN1; SMN2NPC1LMNARECQL

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
WO-2021230654-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 — — WO disclosed
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