SCHEMBL28533741

SCHEMBL28533741

Clc1cccc(C2(Br)C=CC(c3ccccc3)=CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
HSD11B1 P28845 1/20 0.33
CCR2 P41597 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HTR2C P28335 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PGR P06401 1/20 0.30
ALDH1A1 P00352 2/20 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
SCHEMBL11819984 0.85
SCHEMBL6563901 0.77 ALDH1A1 (0.38) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL28546886 0.75 SLC6A3 (0.36) SLC6A4SLC6A3SLC6A2HSD11B1CCR2
SCHEMBL21091939 0.74 PGR (0.38) TP53HTR2CPGRALDH1A1BACE1
SCHEMBL2769350 0.73 KDM4E (0.33) ALDH1A1
SCHEMBL8170983 0.73 NOS2 (0.32) SMN1; SMN2NPC1TP53TSHRNFKB1
SCHEMBL4913159 0.71 KDM4E (0.30)
SCHEMBL23270916 0.71 MEN1 (0.33) SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2678836 0.71 NOS2 (0.31) PGR
SCHEMBL9951675 0.71

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120945-A1 HOLE TRANSPORT MATERIAL, PREPARATION METHOD THEREFOR AND ELECTROLUMINESCENT DEVICE 武汉华星光电半导体显示技术有限公司 2022-06-16 WO disclosed
CN-112574045-B Hole transport material, preparation method thereof and electroluminescent device 武汉华星光电半导体显示技术有限公司 2022-04-01 CN disclosed
CN-112574045-A Hole transport material, preparation method thereof and electroluminescent device 武汉华星光电半导体显示技术有限公司 2021-03-30 CN disclosed