SCHEMBL29838366

SCHEMBL29838366

O=C(NCc1nc2ccccc2s1)NCc1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.63
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 3/20 0.56
ALOX15 P16050 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
UBE2T Q9NPD8 1/20 0.56
ASIC3 Q9UHC3 1/20 0.56
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.52
ALOX5 P09917 1/20 0.52

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
SCHEMBL2939268 0.90 HPGD (0.64) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL6030411 0.86 HPGD (0.57) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL2641174 0.86 HPGD (0.61) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL15195531 0.86 HPGD (0.60) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL7723002 0.86 HTT (0.67) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL2641178 0.86 HPGD (0.57) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL15195148 0.85 HPGD (0.58) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL31683806 0.85 HPGD (0.55) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL10605461 0.85 HPGD (0.55) HPGDPOLBATMSMN1; SMN2HTT
SCHEMBL23939642 0.84 KMT2A (0.64) HPGDPOLBATMSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110291135-B Method for producing latex of synthetic rubber 日本瑞翁株式会社 2022-09-06 CN disclosed