SCHEMBL29034992

SCHEMBL29034992

Nn1cnc(Cc2ccccc2)c2ncnc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
LTB4R Q15722 2/20 0.36
CALM1 P0DP23 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 2/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
GFER P55789 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
IDH1 O75874 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL72542 0.73 ADORA2A (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL27886987 0.72 ADORA2A (0.44) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL27485470 0.66 ADORA2A (0.49) ALDH1A1ADORA2API4KAPI4K2BPI4K2A
3-Benzyladenine SCHEMBL5352368 0.64 ADORA2A (0.56) ALDH1A1HSD17B10ADORA2API4KAPI4K2B
SCHEMBL3914541 0.62 CALM1 (0.39) LTB4RCALM1TAAR1ALDH1A1HPGD
SCHEMBL8781507 0.62 CALM1 (0.55) LTB4RCALM1TAAR1ALDH1A1HPGD
SCHEMBL31452794 0.62 TDP1 (0.42) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL9006363 0.61 LMNA (0.60) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14879327 0.61 HTR2A (0.40) LTA4HCALM1ALDH1A1HPGDALOX15
SCHEMBL858572 0.61 MEN1 (0.48) LTB4RCALM1TAAR1ALDH1A1HSD17B10

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-116425598-A Preparation method of organic fertilizer suitable for planting glehnia littoralis 福州福德恩生物科技有限公司 2023-07-14 CN disclosed