SCHEMBL27683154

SCHEMBL27683154

C1=NCSC1=Cc1ccc2ncn(CCCCc3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.35
P2RX7 Q99572 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
BRD4 O60885 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
TNF P01375 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ASAH1 Q13510 1/20 0.33

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
SCHEMBL2882458 0.79 HTT (0.41) HTTLMNASMN1; SMN2ALOX15TSHR
SCHEMBL2877338 0.77 HPGD (0.57) GAAHPGD
SCHEMBL2877339 0.77 HPGD (0.57) GAAHPGD
SCHEMBL9775011 0.69 HTT (0.74) HTTLMNASMN1; SMN2ALOX15TSHR
SCHEMBL229982 0.67 HTT (0.81) HTTLMNASMN1; SMN2ALOX15TSHR
SCHEMBL13993870 0.63 HTT (0.68) HTTLMNASMN1; SMN2KMT2AMAPT
SCHEMBL1607500 0.62 HDAC1 (0.58) HTTKMT2A
SCHEMBL5796531 0.62 HTT (0.66) HTTLMNASMN1; SMN2ALOX15TSHR
SCHEMBL784573 0.61 HTT (1.00) HTTLMNASMN1; SMN2ALOX15TSHR
SCHEMBL2950203 0.61 HTT (0.56) HTTLMNASMN1; SMN2ALOX15TSHR

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
CN-101056633-A PI3 kinase gamma inhibitors for the treatment of anemia APPLIED RESEARCH SYSTEMS (AN) 2007-10-17 CN claimed
CN-101300047-A PI3K inhibitors for the treatment of endometriosis SERONO LAB (CH) 2008-11-05 CN disclosed