SCHEMBL31005174

SCHEMBL31005174

Clc1nc(-c2ccccc2)nc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ SERPINE1 P05121 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 4/20 0.37

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
SCHEMBL26272681 1.00 HTT (0.54) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL25709063 0.92 HTT (0.60) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL31074776 0.92 HTT (0.60) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL31005178 0.91 HTT (0.54) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL25710150 0.91 HTT (0.59) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL31109577 0.87 HTT (0.43) HTTALDH1A1LMNASMN1; SMN2GRIN2D
SCHEMBL31005173 0.87 HTT (0.55) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL31005166 0.87 HTT (0.55) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL31005177 0.87 HTT (0.55) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL18317438 0.85 HTT (0.54) HTTALDH1A1LMNATSHRSMN1; SMN2

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
Send feedback