SCHEMBL11508947

SCHEMBL11508947

CN(C)c1ccc(C(=O)O)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 8/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ GRM5 P41594 1/20 0.41
▸ ALOX15 P16050 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ P4HTM Q9NXG6 5/20 0.36
▸ P4HA1 P13674 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35

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
SCHEMBL8139286 0.83 NPC1 (0.41) NPC1RAB9APKMUSP2TP53
SCHEMBL11637320 0.82 NNMT (0.53) NPC1RAB9APKMUSP2TP53
SCHEMBL698657 0.79 KDM4E (0.52) TP53SMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL4278637 0.76 NPC1 (0.58) NPC1RAB9APKMUSP2TP53
SCHEMBL27677649 0.76 PIM2 (0.40) PKMSMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL11529735 0.75 NPC1 (0.36) NPC1RAB9APKMUSP2TP53
SCHEMBL17984648 0.74 CYP1A2 (0.50) NPC1RAB9ATP53SMN1; SMN2KDM4E
Hydrazine SCHEMBL23496608 0.74 KDM4E (0.48) TP53SMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL27506246 0.73 PAX8 (0.36) KDM4EALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL16571761 0.73 NPC1 (0.40) NPC1RAB9APKMUSP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145423-A TREATMENT OF SCHISTOSOMIASIS AND AMOEBIASIS, NEMATODES, ANTIPROTAZOA RHONE-POULENC INDUSTRIES (FR) 1979-03-20 — — US disclosed
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 — — US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 — — US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 — — US disclosed
US-4104386-A Derivatives of 1,2-dithiole and anti-bilharzia compositions thereof RHONE-POULENC INDUSTRIES (FR) 1978-08-01 — — US disclosed
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