SCHEMBL24521736

SCHEMBL24521736

C#Cc1ccc(N)cc1C=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 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
SCHEMBL4559535 0.75 CASP1 (0.38) NOS2KDM4EUSP2ALDH1A1TSHR
SCHEMBL19636018 0.73 CASP1 (0.48) NOS2KDM4EALDH1A1TSHRCASP1
Hydrochloric Acid SCHEMBL6312425 0.73 POLB (0.39) NOS2KDM4EUSP2ALDH1A1TSHR
SCHEMBL20019478 0.70 SLC9A3 (0.39) KDM4EALDH1A1
SCHEMBL29642345 0.69 ALDH1A1 (0.42) KDM4EUSP2ALDH1A1TSHRCASP1
SCHEMBL688670 0.69 ALDH1A1 (0.42) KDM4EUSP2ALDH1A1TSHRCASP1
SCHEMBL27701524 0.69 CASP1 (0.46) KDM4EUSP2ALDH1A1TSHRCASP1
SCHEMBL6952023 0.68 GRIN2D (0.33) NOS2KDM4EALDH1A1TSHRCASP1
SCHEMBL5272484 0.68 CASP1 (0.42) KDM4EUSP2ALDH1A1TSHRCASP1
SCHEMBL13646420 0.65 CA1 (0.46) KDM4EUSP2ALDH1A1TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4395499-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2024-07-03 EP disclosed
EP-4203661-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2023-06-28 EP disclosed
EP-4099413-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-12-07 EP disclosed
EP-4016656-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-06-22 EP disclosed