SCHEMBL24522084

SCHEMBL24522084

CC(C)(C)c1cc(N(I)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
CYP2C19 P33261 3/20 0.39
POLB P06746 1/20 0.37
RXRA P19793 5/20 0.37
RXRB P28702 5/20 0.37
RXRG P48443 5/20 0.37
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR1D P28221 1/20 0.32
HMGCR P04035 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL345598 0.81 GABRA1 (0.48) GABRA1GABRB2CYP2C19POLBRXRA
SCHEMBL22181552 0.81 GABRA1 (0.48) GABRA1GABRB2CYP2C19POLBRXRA
SCHEMBL24255102 0.78 GABRA1 (0.38) GABRA1GABRB2CYP2C19POLBRXRA
SCHEMBL25922213 0.77 HDAC8 (0.42) CYP2C19RXRARXRBCYP1A2CYP2D6
SCHEMBL93161 0.76 GABRA1 (0.69) GABRA1GABRB2CYP2C19POLBRXRA
SCHEMBL24625060 0.76 GABRA1 (0.42) GABRA1GABRB2CYP2C19POLBRXRA
SCHEMBL23051506 0.74 GABRA1 (0.46) GABRA1GABRB2CYP2C19POLBRXRA
SCHEMBL20650086 0.74 TSHR (0.48) CYP2C19GAAMAPTCYP1A2ALDH1A1
SCHEMBL13673476 0.74 GABRA1 (0.52) GABRA1GABRB2CYP2C19POLBRXRA
SCHEMBL14372107 0.74 GABRA1 (0.52) GABRA1GABRB2CYP2C19POLBRXRA

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
EP-4282863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-11-29 EP disclosed
EP-4016659-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2022-06-22 EP disclosed