SCHEMBL5455510

SCHEMBL5455510

CCCCCCCCCCCC(=O)NC(=S)Nc1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.74
LMNA P02545 1/20 0.74
RAB9A P51151 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
ALDH1A1 P00352 6/20 0.67
HPGD P15428 2/20 0.65
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
PKM P14618 1/20 0.60
EPHX1 P07099 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL30125025 1.00 NPC1 (0.74) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7203505 0.85 RAB9A (1.00) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL28931481 0.84 RAB9A (0.91) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL16714818 0.80 NPC1 (0.82) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL16714822 0.80 NPC1 (0.82) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL5445787 0.80 ALDH1A1 (0.72) LMNAALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL5445850 0.80 CNR1 (0.65) RAB9AALDH1A1HPGDMEN1KMT2A
SCHEMBL8208781 0.79 LMNA (0.72) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6635433 0.79 LMNA (0.72) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL28882029 0.79 RAB9A (0.81) NPC1LMNARAB9ASMN1; SMN2ALDH1A1

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
CN-115449367-A 2-Dodecanylaminonaphtho [2,1-d ]]Thiazole in Fe 3+ Or Hg 2+ Application of fluorescent probe for detection 池州学院 2022-12-09 CN claimed
CN-115449367-A 2-Dodecanylaminonaphtho [2,1-d ]]Thiazole in Fe 3+ Or Hg 2+ Application of fluorescent probe for detection 池州学院 2022-12-09 CN disclosed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed