SCHEMBL30800221

SCHEMBL30800221

COc1cccc(-c2cn3c(=O)c(Cc4ccco4)nc-3c(Cc3ccccc3)[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ MAPK1 P28482 2/20 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
SCHEMBL19810295 1.00 CYP1A2 (0.43) CYP1A2CYP2C19HSD17B10CYP3A4CYP2D6
SCHEMBL19810194 0.91 ALDH1A1 (0.39) CYP1A2CYP2C19HSD17B10CYP3A4ALOX15
SCHEMBL25760270 0.90 ADORA2B (0.38) HSD17B10ALOX15TSHRLMNASMN1; SMN2
SCHEMBL21767317 0.89 MAOA (0.36) CYP1A2CYP2C19HSD17B10CYP3A4CYP2D6
SCHEMBL2670126 0.89 ALDH1A1 (0.39) HSD17B10ALOX15TSHRLMNAHTT
SCHEMBL19206678 0.88 LTB4R (0.47) CYP1A2CYP2C19HSD17B10CYP3A4CYP2D6
SCHEMBL19810311 0.88 ADORA2A (0.35) HSD17B10ALOX15TSHRLMNASMN1; SMN2
SCHEMBL30110483 0.88 ALDH1A1 (0.38) HSD17B10TSHRLMNASMN1; SMN2HTT
SCHEMBL19810232 0.88 ALDH1A1 (0.38) HSD17B10TSHRLMNASMN1; SMN2HTT
SCHEMBL27213496 0.88 ALDH1A1 (0.41) CYP1A2CYP2C19HSD17B10CYP3A4TSHR

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-112513188-B Coelenterazine analogs 普洛麦格公司 2024-01-26 — — CN disclosed
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