SCHEMBL8317162

SCHEMBL8317162

COc1ccc(C=CC=Cc2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 3/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
TXNRD1 Q16881 1/20 0.34

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
SCHEMBL8317159 1.00 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ERAB9ACYP3A4NPC1
SCHEMBL8317005 0.93 KDM4E (0.42) SMN1; SMN2KDM4ERAB9ACYP3A4NPC1
SCHEMBL8317001 0.93 KDM4E (0.42) SMN1; SMN2KDM4ERAB9ACYP3A4NPC1
SCHEMBL8314229 0.84 MAOB (0.37) SMN1; SMN2KDM4ERAB9ANPC1HPGD
SCHEMBL8314227 0.84 MAOB (0.37) SMN1; SMN2KDM4ERAB9ANPC1HPGD
SCHEMBL8315262 0.81 PARP1 (0.46) KDM4ERAB9ANPC1CYP1A2HDAC6
SCHEMBL8315265 0.81 PARP1 (0.46) KDM4ERAB9ANPC1CYP1A2HDAC6
SCHEMBL8316305 0.81 MAPT (0.42) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL8316303 0.81 MAPT (0.42) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL8316802 0.81 ALDH1A3 (0.35) KDM4EMAPT

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-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed