SCHEMBL5887510

SCHEMBL5887510

Cc1ccc([Se]c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
ALOX12 P18054 1/20 0.53
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 2/20 0.44
BBOX1 O75936 4/20 0.43
EHMT2 Q96KQ7 3/20 0.43
EHMT1 Q9H9B1 3/20 0.43
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3891882 0.88 ACHE (0.57) ACHETSHRLMNAALOX12TDP1
SCHEMBL10422684 0.85 ACHE (0.53) ACHETSHRLMNAALOX12TDP1
SCHEMBL150725 0.82 BBOX1 (0.60) ACHETSHRLMNAALOX12TDP1
SCHEMBL29834856 0.79 ACHE (0.41) ACHETSHRLMNAALOX12TDP1
SCHEMBL28614414 0.79 CYP2A6 (0.60) TSHRLMNATDP1HPGDCA9
Hydrochloric Acid SCHEMBL3629169 0.78 BBOX1 (0.56) ACHETSHRLMNAALOX12TDP1
SCHEMBL6477690 0.78 BBOX1 (0.56) ACHETSHRLMNAALOX12TDP1
Phosphine SCHEMBL14917741 0.78 BBOX1 (0.56) ACHETSHRLMNAALOX12TDP1
Bromide SCHEMBL9069068 0.78 BBOX1 (0.56) ACHETSHRLMNAALOX12TDP1
Bromide SCHEMBL9069066 0.78 BBOX1 (0.56) ACHETSHRLMNAALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 EP disclosed
CN-116178232-A Chiral hydroxy seleno ether and asymmetric synthesis method thereof 湖北滋兰生物医药科技有限公司 2023-05-30 CN disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed
WO-2022168632-A1 PHOTOACID GENERATOR AND RESIN COMPOSITION FOR PHOTOLITHOGRAPHY サンアプロ株式会社 2022-08-11 WO disclosed
US-7112697-B1 Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2006-09-26 US disclosed