SCHEMBL24969649

SCHEMBL24969649

Clc1cccc2c1sc1cc(-c3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 9/20 0.47
ALOX5 P09917 1/20 0.40
ESR2 Q92731 1/20 0.40
PIK3CA P42336 1/20 0.37
PI4KA P42356 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
MCL1 Q07820 1/20 0.36
SMO Q99835 1/20 0.36
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F9 P00740 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL25567737 0.87 LIMK1 (0.47) LIMK1ALOX5ESR2PIK3CAPI4KA
SCHEMBL22701806 0.87 LIMK1 (0.47) LIMK1ALOX5ESR2PIK3CAPI4KA
SCHEMBL22701898 0.86 LIMK1 (0.46) LIMK1ALOX5ESR2TNKSTNKS2
SCHEMBL22701855 0.84 LIMK1 (0.45) LIMK1ALOX5ESR2TNKSTNKS2
SCHEMBL22031877 0.84 LIMK1 (0.55) LIMK1ALOX5PIK3CAPI4KAPI4KB
SCHEMBL25442153 0.84 LIMK1 (0.55) LIMK1ALOX5PIK3CAPI4KAPI4KB
SCHEMBL19109265 0.83 LIMK1 (0.51) LIMK1ALOX5PIK3CAPI4KAPI4KB
SCHEMBL15989976 0.81 KDM4E (0.35) LIMK1ALOX5MAPT
SCHEMBL24787556 0.81 ALOX5 (0.40) LIMK1ALOX5TNKSTNKS2CYP1A2
SCHEMBL23299557 0.81 LIMK1 (0.47) LIMK1ALOX5PIK3CAPI4KAPI4KB

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
WO-2024128571-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2024-06-20 WO disclosed
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed