SCHEMBL28045669

SCHEMBL28045669

O=[N+]([O-])c1c(-c2ccccc2)ccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.47
HPRT1 P00492 1/20 0.45
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.41
CYP2A6 P11509 1/20 0.41
DCTPP1 Q9H773 2/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
PTGS2 P35354 2/20 0.38
LMNA P02545 2/20 0.38
HCRTR1 O43613 1/20 0.38
PKM P14618 1/20 0.38
VCAM1 P19320 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6497467 0.86 ALDH1A1 (0.47) ALDH1A1TDP1TSHRHPRT1RAB9A
SCHEMBL27911837 0.83 CRHBP (0.45) ALDH1A1TDP1HPRT1RAB9APOLB
SCHEMBL29236231 0.82 ALDH1A1 (0.59) ALDH1A1TDP1TSHRHPRT1RAB9A
SCHEMBL28871470 0.81 TSHR (0.43) ALDH1A1TDP1TSHRLMNA
SCHEMBL30050969 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRHPRT1RAB9A
SCHEMBL10975392 0.81 HPRT1 (0.51) ALDH1A1TDP1TSHRHPRT1RAB9A
SCHEMBL28427977 0.81 AHR (0.56) ALDH1A1TDP1TSHRMAPTPKM
SCHEMBL4583260 0.80 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHPRT1RAB9A
SCHEMBL30052139 0.79 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHPRT1RAB9A
SCHEMBL1767571 0.77 ALDH1A1 (0.63) ALDH1A1TDP1TSHRHPRT1RAB9A

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
CN-117321029-A Method for preparing substituted biphenyls via Suzuki coupling of aryl chlorides 巴斯夫欧洲公司 2023-12-29 CN disclosed
CN-105218378-A Prepare the method for substituted biphenyl BASF SE 2016-01-06 CN disclosed