SCHEMBL8889350

SCHEMBL8889350

N#Cc1ccc(NC(=S)n2cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
DHODH Q02127 3/20 0.43
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
TGFBR1 P36897 1/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NLRP3 Q96P20 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL21883217 0.87 FBP1 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8890115 0.84 NAMPT (0.54) IDO1SAE1UBA2NAMPTMAPT
SCHEMBL21883275 0.82 ALDH1A1 (0.40) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL18604415 0.81 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21883142 0.80 SMN1; SMN2 (0.49) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL21883140 0.80 NPC1 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21883243 0.80 TDP1 (0.47) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL21883137 0.80 SMN1; SMN2 (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21883274 0.77 P2RY6 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21883141 0.77 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ALMNA

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
WO-1997003976-A1 SEMICARBAZONE DERIVATIVES AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-06 WO disclosed