SCHEMBL28650784

SCHEMBL28650784

O=C(ONc1ccccc1Cl)ONc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CXCL8 P10145 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL28197116 0.84 CYP1A2 (0.46) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL11803862 0.82 PDE4D (0.48) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL28090565 0.80 LMNA (0.49) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL11799413 0.78 MEN1 (0.44) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL9284486 0.77 MEN1 (0.42) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL29524654 0.72 HPGD (0.66) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL646296 0.72 HPGD (0.66) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL2795923 0.72 CYP1A2 (0.60) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL6859262 0.71 CYP1A2 (0.64) CYP1A2HPGDCYP2C19MEN1KMT2A
SCHEMBL10458447 0.71 KDM4E (0.72) CYP1A2HPGDCYP2C19MEN1KMT2A

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
CN-113548972-A Production process of 3, 3' -dichlorobenzidine hydrochloride 济宁祥泰和新材料科技有限公司 2021-10-26 CN disclosed