SCHEMBL25858359

SCHEMBL25858359

Clc1ccc(Br)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.50
MAP4K4 O95819 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
S100A4 P26447 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL8638226 0.96 ALDH1A1 (0.54) CYP1A2ALDH1A1MAPK1MAP4K4PTGDR2
SCHEMBL29763127 0.96 ALDH1A1 (0.54) CYP1A2ALDH1A1MAPK1MAP4K4PTGDR2
SCHEMBL30223151 0.90 CYP1A2 (0.58) CYP1A2ALDH1A1MAPK1MAP4K4KMT2A
SCHEMBL30223419 0.90 CYP1A2 (0.58) CYP1A2ALDH1A1MAPK1MAP4K4KMT2A
SCHEMBL25962008 0.89 CYP1A2 (0.45) CYP1A2ALDH1A1MAPK1PTGDR2S100A4
SCHEMBL19762223 0.88 MAPK1 (0.44) CYP1A2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL25501415 0.87 AHR (0.45) CYP1A2ALDH1A1MAPK1S100A4LMNA
SCHEMBL25962009 0.86 ALDH1A1 (0.54) CYP1A2ALDH1A1MAPK1MAP4K4PTGDR2
SCHEMBL20023629 0.84 CYP1A2 (0.54) CYP1A2ALDH1A1MAPK1MAP4K4PTGDR2
SCHEMBL29670074 0.83 GCGR (0.41) ALDH1A1MAPK1S100A4KMT2AMEN1

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-2023142492-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2023-08-03 WO disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed