SCHEMBL6005448

SCHEMBL6005448

Cc1ccc(S(=O)(=O)O)c(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CYP19A1 P11511 1/20 0.39
NT5E P21589 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL283800 1.00 CYP1A2 (0.47) CYP1A2ALDH1A1CYP3A4MAPK1CYP2D6
SCHEMBL1453562 0.91 TSHR (0.43) CYP1A2ALDH1A1CYP3A4MAPK1CYP2D6
SCHEMBL1453554 0.91 TSHR (0.43) CYP1A2ALDH1A1CYP3A4MAPK1CYP2D6
SCHEMBL1228376 0.85 ACHE (0.46) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL196533 0.85 ACHE (0.46) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL1607271 0.83 ACHE (0.46) ALDH1A1MEN1KMT2ATSHRNT5E
SCHEMBL6553330 0.83 ACHE (0.46) ALDH1A1MEN1KMT2ATSHRNT5E
SCHEMBL4623492 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1CYP3A4MAPK1CYP2D6
SCHEMBL121623 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1CYP3A4MAPK1CYP2D6
SCHEMBL284469 0.80 TSHR (0.41) ALDH1A1CYP3A4MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022092080-A1 POLYMERIZABLE COMPOSITION, CURED PRODUCT, AND METHOD FOR PRODUCING CURED PRODUCT 株式会社ADEKA 2022-05-05 WO disclosed
US-20060228562-A1 Semiconductor device, resin composition for buffer coating, resin composition for die bonding, and resin composition for encapsulating SUMITOMO BAKELITE COMPANY LIMITED (JP) 2006-10-12 US disclosed
US-6030746-A CHEMICALLY AMPLIFIED POSITIVE RESIST COMPRISES A ORGANIC SOLVENT, AN ALKALI SOLUBLE RESIN, A PHOTOACID GENERATOR AND A DISSOLUTION RATE REGULATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-02-29 US disclosed
US-5981146-A CONTAINING A COMPOUND HAVING A SULFONIC ACID GROUP OR A CARBONIC ACID GROUP IS FORMED ON A CHEMICAL-AMPLIFICATION-TYPE RESIST FILM OF A SEMICONDUCTTOR SUBSTRATE, FOLLOWED BY PERFORMING EXPOSURE MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1999-11-09 US disclosed
US-5856561-A Bisphenol carboxylic acid tertiary ester derivatives and chemically amplified positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-05 US disclosed
US-5677380-A COATING ON IRREGULAR SURFACE MATERIAL COMPRISING ADDITION POLYMER, HEAT CURING AGENT, HALATION PREVENTIVE AGENT, HEATING TO FLUIDIZE AND CURE FILM TOSOH CORPORATION (JP) 1997-10-14 US disclosed