SCHEMBL8810643

SCHEMBL8810643

O=C1NC(Cc2cccc3c2ccn3Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ICMT O60725 1/20 0.35
IDE P14735 1/20 0.34
UBE2N P61088 1/20 0.34
MAPT P10636 2/20 0.33
ADCYAP1R1 P41586 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GCGR P47871 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL8809597 0.93 PARP1 (0.47) TACR1PARP1KDM4EHTTSMN1; SMN2
SCHEMBL8813445 0.91 HTR6 (0.40) PARP1KDM4ESMN1; SMN2MAPTADCYAP1R1
SCHEMBL8809453 0.87 MPO (0.38) PARP1SMN1; SMN2LMNA
SCHEMBL8808975 0.86 DAO (0.34) PARP1
SCHEMBL8685833 0.84 HTR6 (0.43) LMNA
SCHEMBL8810664 0.84 MPO (0.46) KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL8811090 0.84 KDM1A (0.38)
SCHEMBL8810754 0.84 PARP1 (0.41) PARP1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL8810937 0.83 TNF (0.40) PARP1
SCHEMBL8812580 0.83 TNF (0.37) PARP1KDM4EHTTMAPTTP53

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
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed