SCHEMBL24375968

SCHEMBL24375968

Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(S)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
RXRB P28702 4/20 0.37
RXRA P19793 3/20 0.37
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 2/20 0.34
HTR7 P34969 1/20 0.33
HTR1D P28221 1/20 0.32
TSHR P16473 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL24376195 0.82 IDO1 (0.38) IDO1HTR7GRIA1CACNG8
SCHEMBL24268918 0.81 CNR1 (0.50) KIF11RXRBRXRAPOLBIDO1
SCHEMBL25384882 0.81 RXRB (0.54) KIF11RXRBRXRAIDO1CNR1
SCHEMBL26738778 0.79 ALDH1A1 (0.40) KIF11RXRBRXRAIDO1CNR1
SCHEMBL26674224 0.79 KIF11 (0.58) KIF11RXRBRXRAIDO1CNR1
SCHEMBL30677943 0.79 KIF11 (0.58) KIF11RXRBRXRAIDO1CNR1
SCHEMBL21507597 0.78 POLB (0.43) KIF11RXRBRXRAPOLBCNR1
SCHEMBL20871927 0.78 KIF11 (0.37) KIF11RXRBRXRAPOLBCNR1
SCHEMBL21665555 0.78 MAP4K4 (0.47) KIF11POLBCNR1CNR2TSHR
SCHEMBL4671372 0.77 KIF11 (0.47) KIF11RXRBRXRAIDO1CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988557-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-11-22 EP disclosed
EP-4198164-A1 MIXED LAYER, METHOD OF PREPARING THE MIXED LAYER, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS Samsung Electronics Co., Ltd. (KR) 2023-06-21 EP disclosed
EP-3988557-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-04-27 EP disclosed