SCHEMBL10622016

SCHEMBL10622016

N=C(N)Nc1nc(-c2ccc(CN)s2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
LMNA P02545 7/20 0.43
KDM4E B2RXH2 5/20 0.43
ABL1 P00519 2/20 0.43
POLB P06746 2/20 0.43
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 5/20 0.41
HSD17B10 Q99714 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10520788 0.89 HDAC8 (0.44) HDAC8LMNAKDM4EABL1POLB
SCHEMBL10619222 0.82 ABL1 (0.65) HDAC8LMNAKDM4EABL1POLB
SCHEMBL3607773 0.81 KMT2A (0.68) HDAC8LMNAKDM4EABL1POLB
SCHEMBL10519037 0.80 MEN1 (0.51) HDAC8LMNAKDM4EABL1POLB
SCHEMBL10520148 0.80 IKBKE (0.45) HDAC8LMNAKDM4EABL1POLB
SCHEMBL10520562 0.80 KMT2A (0.53) HDAC8LMNAKDM4EABL1POLB
SCHEMBL10619228 0.79 HDAC8 (0.45) HDAC8LMNAKDM4EABL1POLB
SCHEMBL3602480 0.78 KDM4E (0.36) LMNAKDM4EABL1POLBALDH1A1
SCHEMBL3612918 0.77 MAPT (0.40) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL3605679 0.77 ATP4A (0.38) LMNAKDM4EALDH1A1NPC1RAB9A

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-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 EP disclosed