SCHEMBL29240252

SCHEMBL29240252

c1cc(-c2nc3ccccc3[nH]2)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 12/20 0.56
▸ KDM4E B2RXH2 12/20 0.56
▸ NPC1 O15118 11/20 0.56
▸ RAB9A P51151 11/20 0.56
▸ ALDH1A1 P00352 10/20 0.56
▸ HPGD P15428 7/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ TP53 P04637 3/20 0.56
▸ GAA P10253 1/20 0.54
▸ LMNA P02545 2/20 0.49
▸ PLAUR Q03405 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ MAPT P10636 6/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ USP2 O75604 1/20 0.48

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
SCHEMBL24501022 0.88 NPC1 (0.50) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21298554 0.87 NPY5R (0.53) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21298160 0.87 NPC1 (0.51) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21890267 0.85 NPC1 (0.49) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21890438 0.84 NPC1 (0.48) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL23948708 0.84 NPY5R (0.50) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL21890463 0.80 NPC1 (0.47) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL23948926 0.79 NPY5R (0.44) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL18848151 0.79 JAK2 (0.44) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL3417301 0.79 NPC1 (0.78) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1

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-118215322-A Organic light emitting diode and organic light emitting device 乐金显示有限公司 2024-06-18 — — CN disclosed
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