SCHEMBL8557761

SCHEMBL8557761

O=S(=O)(Nc1oc(Cc2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
LIMK2 P53671 3/20 0.46
PTGS2 P35354 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
LMNA P02545 1/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
SLC40A1 Q9NP59 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
AR P10275 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL8556764 0.92 MAPT (0.54) MAPTALDH1A1LIMK2MEN1KMT2A
SCHEMBL8555603 0.90 MAPT (0.48) MAPTALDH1A1LIMK2MEN1KMT2A
SCHEMBL8558072 0.90 PTGS2 (0.46) MAPTLIMK2PTGS2MEN1KMT2A
SCHEMBL8555221 0.88 MAPT (0.56) MAPTALDH1A1LIMK2MEN1KMT2A
SCHEMBL8560530 0.88 MAPT (0.52) MAPTALDH1A1LIMK2MEN1KMT2A
SCHEMBL8558539 0.88 PTGS2 (0.47) MAPTALDH1A1LIMK2PTGS2MEN1
SCHEMBL8557990 0.88 MAPT (0.46) MAPTALDH1A1LIMK2PTPN2PTPN1
SCHEMBL8556526 0.88 MAPT (0.46) MAPTALDH1A1LIMK2MEN1KMT2A
SCHEMBL8556139 0.87 MAPT (0.47) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL8559953 0.87 AR (0.45) MAPTALDH1A1LIMK2PTGS2MEN1

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed