SCHEMBL31005177

SCHEMBL31005177

c1ccc(-c2nc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)n4)c3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ MAPT P10636 3/20 0.39

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
SCHEMBL31005173 1.00 HTT (0.55) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL31005184 0.98 HTT (0.54) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL31005162 0.98 HTT (0.54) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL18317610 0.97 HTT (0.52) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL31074776 0.94 HTT (0.60) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL25709063 0.94 HTT (0.60) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL31005179 0.93 HTT (0.49) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL31005175 0.93 HTT (0.54) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL18317438 0.93 HTT (0.54) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL31005163 0.93 HTT (0.54) HTTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240292743-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-29 — — US disclosed
CN-118459415-A Heterocyclic compound, light-emitting device, electronic apparatus, and electronic device 三星显示有限公司 2024-08-09 — — CN disclosed
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