SCHEMBL9767884

SCHEMBL9767884

O=C(C=Cc1ccccn1)Nc1ccccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 4/20 0.60
▸ LTB4R Q15722 1/20 0.60
▸ TRPA1 O75762 9/20 0.59
▸ TRPM8 Q7Z2W7 5/20 0.59
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ APEX1 P27695 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52

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
SCHEMBL13320651 1.00 TRPM2 (0.60) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL6582936 0.82 NPC1 (0.51) NPC1RAB9AKDM4EMAPTRECQL
SCHEMBL6582938 0.82 NPC1 (0.51) NPC1RAB9AKDM4EMAPTRECQL
SCHEMBL9767825 0.81 TRPM2 (0.55) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL13320698 0.81 TRPM2 (0.55) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL13352230 0.81 MMP1 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL294402 0.80 TRPM2 (0.83) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL294403 0.80 TRPM2 (0.83) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL13320712 0.80 TRPM2 (0.72) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL8635718 0.79 TRPA1 (0.78) TRPM2LTB4RTRPA1TRPM8NPC1

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-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
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