SCHEMBL29312627

SCHEMBL29312627

CC(C)(C)c1ccc2sc3c(ccc4[nH]c5ccc(C(C)(C)C)cc5c43)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.53
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
GHSR Q92847 1/20 0.35
BRD4 O60885 1/20 0.34
HTR1D P28221 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL17299516 0.78 KIF11 (0.55) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL14951802 0.78 KIF11 (0.54) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29535 0.78 KIF11 (0.81) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29361452 0.78 KIF11 (0.81) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL788537 0.77 KIF11 (0.49) KIF11GABRA1GABRG2GABRB3GABRA5
Ammonia Solution, Strong SCHEMBL25176966 0.76 KIF11 (0.78) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL14951603 0.75 KIF11 (0.54) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL31228901 0.74 KIF11 (0.76) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL30881120 0.74 KIF11 (0.76) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL23327761 0.74 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
WO-2024147631-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 에스에프씨 주식회사 2024-07-11 WO disclosed