SCHEMBL1672799

SCHEMBL1672799

O=C(NCC(=O)N1CCCC1)c1ccc2cccccc1-2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
NAAA Q02083 1/20 0.48
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
MTTP P55157 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13058919 0.81 RAB9A (0.59) TSHRRAB9AALDH1A1LMNANAAA
SCHEMBL21101395 0.79 PREP (0.68) RAB9A
SCHEMBL1442608 0.78 RAB9A (0.70) TSHRRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL16381886 0.77 RAB9A (0.58) RAB9AALDH1A1KMT2ANPC1POLB
SCHEMBL1945575 0.77 POLB (0.52) TSHRRAB9AKMT2APOLBSMN1; SMN2
SCHEMBL3275319 0.77 RAB9A (0.68) TSHRRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL10337975 0.77 CHRNB2 (0.58) ALDH1A1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL8289085 0.76 RAB9A (0.53) RAB9AALDH1A1LMNAKMT2ANPC1
SCHEMBL8286857 0.76 RAB9A (0.68) RAB9AALDH1A1NPC1POLB
SCHEMBL5067725 0.76 HTT (0.57) TSHRRECQLALDH1A1LMNACHRNB2

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-2385948-A1 FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES Torrent Pharmaceuticals Limited (IN) 2011-11-16 EP disclosed
WO-2011045811-A1 FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LIMITED (IN) 2011-04-21 WO disclosed