SCHEMBL14519215

SCHEMBL14519215

COn1ncc2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.47
▸ RAB9A P51151 8/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ PLA2G10 O15496 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL31513509 0.78 TDP1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7889097 0.76 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL332668 0.76 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL29509350 0.76 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4225608 0.75 TDP1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL30088901 0.74 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1966858 0.73 RECQL (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30854464 0.73 RECQL (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5166784 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7764110 0.72 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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-7199268-B2 Process for the production of dendritic trimesic acid triamides SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-03 — — US disclosed
US-7199268-B2 Process for the production of dendritic trimesic acid triamides SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-03 — — US disclosed
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