SCHEMBL21844846

SCHEMBL21844846

O=S(=O)(Cl)c1cc(C(O)Nc2ccc(F)c(Cl)c2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.42
▸ SOS1 Q07889 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ IDO1 P14902 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
SCHEMBL19308079 0.84 TRPV4 (0.35) MDM2MAPTTRPV4
SCHEMBL18948558 0.80 GSTO1 (0.46) MDM2HTTMEN1KMT2AALDH1A1
SCHEMBL19157910 0.79 ACLY (0.40) MDM2MEN1KMT2AALDH1A1MAPT
SCHEMBL20083954 0.77 MAPT (0.41) HTTMAPTTRPV4SMN1; SMN2PKM
SCHEMBL20647783 0.75 MAPT (0.39) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL20647677 0.75 MAPT (0.46) KMT2AALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL19841963 0.74 MAPT (0.48) HTTALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL20647771 0.74 ENPP2 (0.45) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL20647758 0.74 MAPT (0.39) MDM2HTTMAPTSMN1; SMN2
SCHEMBL20647781 0.74 CYP3A4 (0.42) HTTMAPTSMN1; SMN2LMNA

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-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
Send feedback