SCHEMBL22044196

SCHEMBL22044196

Cc1c(C(C)(C)C)ccc2[nH]c3ccc(C(C)(C)C)cc3c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.54
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
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 0.38
HTR1D P28221 5/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
NR1I2 O75469 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
SCHEMBL32668555 0.81 KIF11 (0.63) KIF11MEN1KMT2AGABRA1GABRG2
SCHEMBL725164 0.81 KIF11 (0.63) KIF11MEN1KMT2AGABRA1GABRG2
SCHEMBL21692116 0.80 KIF11 (0.33) KIF11GABRA1
SCHEMBL20809095 0.79 KIF11 (0.59) KIF11MEN1KMT2A
SCHEMBL29361452 0.78 KIF11 (0.81) KIF11MEN1KMT2AGABRA1GABRG2
SCHEMBL29535 0.78 KIF11 (0.81) KIF11MEN1KMT2AGABRA1GABRG2
SCHEMBL26088366 0.77 KIF11 (0.47) KIF11MEN1KMT2AGABRA1GABRG2
Ammonia Solution, Strong SCHEMBL25176966 0.77 KIF11 (0.78) KIF11MEN1KMT2AGABRA1GABRG2
Methyl Alcohol SCHEMBL4018989 0.75 KIF11 (0.75) KIF11MEN1KMT2AGABRA1GABRG2
SCHEMBL24126362 0.75 KIF11 (0.75) KIF11MEN1KMT2AGABRA1GABRG2

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
US-10669473-B2 Organic molecules for use in optoelectronic components CYNORA GMBH (DE) 2020-06-02 US disclosed