SCHEMBL9768217

SCHEMBL9768217

O=C(C=Cc1cccs1)Nc1ccccc1C(=O)O.[CaH2]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
NPC1 O15118 7/20 0.67
TRPM2 O94759 1/20 0.58
LTB4R Q15722 1/20 0.58
TRPA1 O75762 7/20 0.56
TRPM8 Q7Z2W7 4/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 5/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
PSMD14 O00487 1/20 0.56
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL9767854 0.99 RAB9A (0.69) RAB9ASMN1; SMN2NPC1TRPM2LTB4R
SCHEMBL13854028 0.99 RAB9A (0.69) RAB9ASMN1; SMN2NPC1TRPM2LTB4R
Potassium Ion SCHEMBL9767821 0.85 RAB9A (0.66) RAB9ASMN1; SMN2NPC1KMT2AMAPT
SCHEMBL9767835 0.85 RAB9A (0.66) RAB9ASMN1; SMN2NPC1KMT2AMAPT
SCHEMBL9768214 0.85 RAB9A (0.66) RAB9ASMN1; SMN2NPC1KMT2AMAPT
SCHEMBL9767841 0.84 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1KMT2AMAPT
SCHEMBL5147438 0.84 RAB9A (0.57) RAB9ASMN1; SMN2NPC1TRPM2LTB4R
SCHEMBL5147433 0.84 RAB9A (0.57) RAB9ASMN1; SMN2NPC1TRPM2LTB4R
Lysine SCHEMBL9768070 0.82 RAB9A (0.50) RAB9ASMN1; SMN2NPC1TRPM2LTB4R
SCHEMBL2273164 0.81 RAB9A (0.54) RAB9ASMN1; SMN2NPC1TRPA1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006548-A Hyaluronidase inhibitors, antiallergens, immunomodulators SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-04-09 US disclosed
EP-0153850-B1 ACRYLAMIDOBENZOIC ACID DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed
EP-0153850-A1 Acrylamidobenzoic acid derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1985-09-04 EP disclosed