SCHEMBL19805743

SCHEMBL19805743

FC(F)(F)c1cc(-c2cccs2)nc(SCCC(Cl)c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ MAPT P10636 6/20 0.53
▸ HPGD P15428 4/20 0.52
▸ HTT P42858 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ POLB P06746 2/20 0.48
▸ THRB P10828 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SDHB P21912 2/20 0.45

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
SCHEMBL19805915 0.82 KDM4E (0.66) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL22912240 0.80 KDM4E (0.67) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL19805846 0.79 KDM4E (0.67) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL22912267 0.78 KDM4E (0.64) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL20985690 0.78 SDHB (0.70) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL19805735 0.77 KDM4E (0.66) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL6722321 0.76 KDM4E (0.72) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL19805659 0.75 SDHB (0.61) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL19805902 0.75 KDM4E (0.56) KDM4EMAPTHPGDHTTNPSR1
SCHEMBL19805852 0.74 KDM4E (0.57) KDM4EMAPTHPGDHTTNPSR1

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
Send feedback