SCHEMBL25465865

SCHEMBL25465865

Brc1cccc2c1sc1ccc(-c3ccc4sc5c(Br)cccc5c4c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
LIMK1 P53667 2/20 0.38
PTPN1 P18031 4/20 0.37
PSMB8 P28062 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SLC9A1 P19634 1/20 0.33
GPR3 P46089 1/20 0.32
EGFR P00533 1/20 0.31
PIM3 Q86V86 3/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PIM1 P11309 4/20 0.31
PIM2 Q9P1W9 4/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 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
SCHEMBL25270552 0.93 LIMK1 (0.47) ALOX5LIMK1PTPN1PIM3TNKS
SCHEMBL23764942 0.91 IDO1 (0.36) ALOX5LIMK1PTPN1IDO1TDO2
SCHEMBL22389511 0.85 PTPN1 (0.39) ALOX5PTPN1PSMB8IDO1TDO2
SCHEMBL28465156 0.85 KCNH2 (0.41) ALOX5
SCHEMBL22913541 0.83 LIMK1 (0.39) ALOX5LIMK1PTPN1PIM3TNKS
SCHEMBL15989726 0.82 KDM4E (0.47) IDO1TDO2PIM1PIM2MAPT
SCHEMBL29450781 0.82 KDM4E (0.47) IDO1TDO2PIM1PIM2MAPT
SCHEMBL3717891 0.82 ALOX5 (0.39) ALOX5PTPN1PSMB8IDO1TDO2
SCHEMBL3714695 0.82 ALDH1A1 (0.44) ALOX5LIMK1PTPN1IDO1TDO2
SCHEMBL17548772 0.82 PTPN1 (0.35) ALOX5PTPN1PSMB8IDO1TDO2

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
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed