SCHEMBL31488770

SCHEMBL31488770

CC(C)(C)c1ccc2[nH]c3cc4c(cc3c2c1)C(C)(C)CCC4(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.55
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 1/20 0.37
▸ GHSR Q92847 1/20 0.36
▸ HTR1D P28221 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL34468658 0.82 AR (0.38) RXRARXRBKDM4EMEN1ALDH1A1
SCHEMBL24126362 0.80 KIF11 (0.75) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29535 0.80 KIF11 (0.81) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29361452 0.80 KIF11 (0.81) KIF11GABRA1GABRG2GABRB3GABRA5
Ammonia Solution, Strong SCHEMBL25176966 0.78 KIF11 (0.78) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL31488773 0.78 AHR (0.57) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL25843758 0.78 AHR (0.57) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL30881120 0.77 KIF11 (0.76) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL23327761 0.77 KIF11 (0.76) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL31228901 0.77 KIF11 (0.76) KIF11GABRA1GABRG2GABRB3GABRA5

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-119462401-A Organic electroluminescent compound and application thereof 尚赛(黄冈)新材料有限公司 2025-02-18 — — CN disclosed
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