SCHEMBL19805908

SCHEMBL19805908

O[N+]1(c2ccc(CSc3nc(-c4cccs4)cc(C(F)(F)F)n3)cc2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ HPGD P15428 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 5/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ THRB P10828 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL19805659 0.80 SDHB (0.61) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL23897432 0.80 SDHB (0.68) KDM4EHPGDSMN1; SMN2TSHRHSD17B10
SCHEMBL23897438 0.80 KDM4E (0.46) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19805846 0.80 KDM4E (0.67) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19805737 0.77 THRB (0.61) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19805745 0.76 KDM4E (0.57) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL20985732 0.76 KDM4E (0.49) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19805751 0.72 KDM4E (0.51) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19805735 0.72 KDM4E (0.66) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19805658 0.71 THRB (0.59) KDM4EHPGDSMN1; SMN2CYP1A2CYP3A4

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
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