SCHEMBL7081917

SCHEMBL7081917

Cc1cc(NC(=O)CCl)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
GSTO1 P78417 7/20 0.60
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.52
MITF O75030 2/20 0.52
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOD2 Q9HC29 1/20 0.50
JAK2 O60674 1/20 0.50

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
SCHEMBL14426539 0.86 CYP3A4 (0.75) NPC1ALDH1A1POLBCYP3A4HPGD
SCHEMBL4006392 0.86 HPGD (0.69) NPC1GSTO1ALDH1A1LMNAPOLB
SCHEMBL29417999 0.86 POLB (0.76) NPC1ALDH1A1LMNAPOLBCYP3A4
SCHEMBL6030738 0.86 POLB (0.76) NPC1ALDH1A1LMNAPOLBCYP3A4
SCHEMBL7929903 0.85 NPC1 (0.59) NPC1ALDH1A1LMNAPOLBCYP3A4
SCHEMBL11667316 0.85 NPC1 (0.59) NPC1ALDH1A1LMNAPOLBCYP3A4
SCHEMBL4003878 0.84 CYP3A4 (0.71) NPC1GSTO1ALDH1A1LMNACYP3A4
SCHEMBL30833308 0.84 CYP3A4 (0.71) NPC1GSTO1ALDH1A1LMNACYP3A4
SCHEMBL14426543 0.82 KDM4E (0.67) NPC1ALDH1A1LMNAPOLBCYP3A4
SCHEMBL14426553 0.82 HPGD (0.78) NPC1ALDH1A1LMNAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066244-B1 METHOD FOR PRODUCING 2,4-DICHLORO-5-HYDROXYACETANILIDE CLARIANT GMBH (DE) 2003-07-09 EP disclosed
US-6242646-B1 Method of producing 2,4-dichloro-5-hydroxyacetanilide CLARIANT GMBH (DE) 2001-06-05 US disclosed
EP-1066244-A1 METHOD FOR PRODUCING 2,4-DICHLORO-5-HYDROXYACETANILIDE Clariant GmbH (DE) 2001-01-10 EP disclosed
WO-1999050228-A1 METHOD FOR PRODUCING 2,4-DICHLORO-5-HYDROXYACETANILIDE CLARIANT GMBH (DE) 1999-10-07 WO disclosed
US-5136868-A HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1992-08-11 US disclosed
EP-0161304-B1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1990-01-10 EP disclosed
EP-0161304-A4 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1986-04-15 EP disclosed
EP-0161304-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1985-11-21 EP disclosed
WO-1985001939-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1985-05-09 WO disclosed
US-4238505-A HIGH TOXICITY FMC CORPORATION (US) 1980-12-09 US disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed