SCHEMBL9317180

SCHEMBL9317180

CCC(=O)Nc1ccc(C(=O)O)nc1.O=C(O)c1ccc(NO)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 11/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.51
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ TP53 P04637 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL3631360 0.94 P4HTM (0.58) P4HTMSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3621496 0.84 P4HTM (0.59) P4HTMMAPK1ALDH1A1
SCHEMBL25733687 0.78 P4HTM (0.58) P4HTMHDAC3HDAC4HDAC1HDAC8
SCHEMBL3621493 0.76 P4HTM (0.63) P4HTMSMN1; SMN2MAPK1ALDH1A1
SCHEMBL9140990 0.75 P4HTM (0.66) P4HTM
SCHEMBL19151154 0.74 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL30112058 0.74 P4HTM (0.60) P4HTMMAPTMAPK1ALDH1A1
SCHEMBL18405340 0.74 P4HTM (0.60) P4HTMMAPTMAPK1ALDH1A1
SCHEMBL28500470 0.74 P4HTM (0.61) P4HTMHDAC3HDAC4HDAC1HDAC8
SCHEMBL30826511 0.74 P4HTM (0.61) P4HTMHDAC3HDAC4HDAC1HDAC8

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
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 — — EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 — — EP claimed
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