SCHEMBL3945346

SCHEMBL3945346

CCCCSc1nc(N)cc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 1/20 0.49
SCN9A Q15858 2/20 0.47
SCN5A Q14524 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TLR8 Q9NR97 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
SCHEMBL3877844 0.94 SCN9A (0.54) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL3952311 0.88 LMNA (0.46) RAB9ANPC1ALDH1A1HPGDSCN9A
SCHEMBL7769184 0.88 RAB9A (0.51) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL13425427 0.87 ALOX15 (0.55) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL13946391 0.85 SCN9A (0.40) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL18333417 0.81 GPR84 (0.50) ALDH1A1HPGDMEN1KMT2ASCN9A
SCHEMBL29241996 0.80 USP2 (0.54) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL11799528 0.79 SMN1; SMN2 (0.49) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL9161631 0.79 SMN1; SMN2 (0.49) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL3526925 0.79 RAB9A (0.53) RAB9ANPC1ALDH1A1HPGDMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
EP-0065811-B1 DISPERSE AZOPYRIMIDINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed