SCHEMBL29796201

SCHEMBL29796201

O=[N+]([O-])c1cc(Cl)cc(CCl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR4 O95977 1/20 0.36

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
SCHEMBL14784786 1.00 TSHR (0.56) TSHRALDH1A1TDP1CYP19A1CYP1A2
SCHEMBL1316710 0.87 TSHR (0.64) TSHRALDH1A1TDP1CYP19A1HSD17B10
SCHEMBL3912806 0.86 ALDH1A1 (0.46) TSHRALDH1A1TDP1CYP19A1CYP1A2
SCHEMBL31366655 0.82 ALDH1A1 (0.46) TSHRALDH1A1TDP1CYP19A1CYP1A2
SCHEMBL30313059 0.82 LOXL2 (0.52) TSHRALDH1A1TDP1CYP19A1CYP1A2
SCHEMBL4926495 0.82 ALDH1A1 (0.46) TSHRALDH1A1TDP1CYP19A1CYP1A2
SCHEMBL8999894 0.82 ALDH1A1 (0.46) TSHRALDH1A1TDP1CYP19A1CYP1A2
SCHEMBL9499200 0.82 HTT (0.48) TSHRALDH1A1TDP1CYP19A1CYP1A2
SCHEMBL1943699 0.80 CYP19A1 (0.62) TSHRALDH1A1TDP1CYP19A1HSD17B10
SCHEMBL204235 0.80 ALDH1A1 (0.61) TSHRALDH1A1TDP1CYP19A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed