SCHEMBL9360689

SCHEMBL9360689

O=C(N=S)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
EPHX1 P07099 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
CDK9 P50750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
HSD17B10 Q99714 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM1A O60341 1/20 0.50
CYP3A4 P08684 1/20 0.50
TAS2R38 P59533 1/20 0.50
GAA P10253 3/20 0.48
CYP1A2 P05177 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5681693 0.82 EPHX2 (0.56) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL10457010 0.81 EPHX2 (0.61) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL11650361 0.81 EPHX2 (0.61) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL3175598 0.79 SMN1; SMN2 (0.58) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL27484733 0.78 F2 (0.61) SMN1; SMN2TSHRALDH1A1CYP3A4GAA
SCHEMBL8393640 0.77 SMN1; SMN2 (0.56) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL5313666 0.77 SMN1; SMN2 (0.56) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL28767340 0.77 TP53 (0.56) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL8396654 0.77 TP53 (0.56) EPHX2EPHX1SMN1; SMN2TP53TSHR
SCHEMBL897272 0.77 HSD17B10 (0.58) EPHX2EPHX1SMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292438-B1 Functional fluids FMC CORP UK LTD (GB) 1994-11-30 EP claimed
CN-110114368-B Targeted mutant interferon-gamma and uses thereof 奥睿尼斯生物科学私人有限公司 2024-08-02 CN disclosed
WO-2023284777-A1 COPOLYMER FILM, ENZYME CATALYSIS SELF-ASSEMBLY SYNTHESIS METHOD THEREFOR, AND APPLICATION THEREOF 中国科学院天津工业生物技术研究所 2023-01-19 WO disclosed
WO-2014009891-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS Piramal Enterprises Limited (IN) 2014-01-16 WO disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN disclosed
EP-0292438-B1 Functional fluids FMC CORP UK LTD (GB) 1994-11-30 EP disclosed
US-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
US-5032309-A Phasphate, ester, urea CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4919833-A PHOSPHATE, CARBOXYLIC ESTER AND (THIO)UREA OR GUANIDINE MIXTURE CIBA-GEIGY CORPORATION (US) 1990-04-24 US disclosed
EP-0292438-A1 Functional fluids FMC CORPORATION (UK) LIMITED (GB) 1988-11-23 EP disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed
US-4370483-A ACIDIFICATION TO EFFECT CYCLIZATION OF AN O-MERCAPTO-N-PHENYLUREA OBTAINED BY HYDROLYSIS OF A 2-HYDROXYBENZOTHIAZOLE HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed