SCHEMBL9798096

SCHEMBL9798096

O=C(c1ccc(S)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.62
▸ CES1 P23141 1/20 0.62
▸ TP53 P04637 1/20 0.60
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ TDP2 O95551 2/20 0.52
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL3234327 0.88 CES2 (0.68) CES2CES1TP53KMT2AMEN1
SCHEMBL181572 0.88 CES2 (0.78) CES2CES1TP53KMT2AMEN1
SCHEMBL8962645 0.87 CES2 (0.66) CES2CES1TP53KMT2AMEN1
SCHEMBL8962651 0.87 CES2 (0.66) CES2CES1TP53KMT2AMEN1
SCHEMBL333455 0.86 TP53 (0.73) CES2CES1TP53KMT2AMEN1
SCHEMBL8962468 0.86 CES2 (0.75) CES2CES1TP53KMT2AMEN1
SCHEMBL11758821 0.85 TP53 (0.77) CES2CES1TP53KMT2AMEN1
SCHEMBL9306598 0.85 CES2 (0.64) CES2CES1TP53KMT2AMEN1
SCHEMBL28285481 0.85 TP53 (0.67) CES2CES1TP53KMT2AMEN1
SCHEMBL11295596 0.85 TP53 (0.71) CES2CES1TP53KMT2AMEN1

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
US-4996347-A Anticoagulant FOURNIER INNOVATION ET SYNERGIE (FR) 1991-02-26 — — US disclosed
US-4877808-A ANTITHROMBOTICS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-10-31 — — US disclosed
Send feedback